5510 -OEChem-10051719173D 39 41 0 0 0 0 0 0 0999 V2000 -2.4763 -3.4228 1.2925 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7762 -1.4178 1.3389 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 -1.2537 -0.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4469 0.1672 0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -0.6266 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 0.1882 -0.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 -1.1594 0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 -0.1125 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3567 0.8967 0.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2839 2.2879 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 -1.6766 -0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8301 -1.9401 -0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2672 1.2169 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 0.7702 -1.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1008 -0.3472 -1.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9067 -1.9780 0.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2105 2.9202 -0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2099 2.1614 -1.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0138 -1.9531 -1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4870 1.4804 0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9029 0.6998 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2848 3.0989 1.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8755 0.4889 2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4497 0.4245 1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3565 -2.3009 -1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2312 -2.7679 -0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9619 1.8401 1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2612 0.2158 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -0.9443 -1.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1502 4.0031 -0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1476 2.6541 -2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2782 -1.9835 -2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9285 -1.4464 -1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2702 -2.9880 -1.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 2.2955 0.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8526 0.9055 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9919 2.6888 2.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2838 3.1063 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5858 4.1342 1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 7 1 0 0 0 0 2 16 1 0 0 0 0 3 6 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 13 2 0 0 0 0 5 11 1 0 0 0 0 5 15 2 0 0 0 0 6 9 1 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 20 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END > DB00525 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FUSNMLFNXJSCDI-UHFFFAOYSA-N/SDF?record_type=3d > CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1 > InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3 > FUSNMLFNXJSCDI-UHFFFAOYSA-N > C19H17NOS > 307.409 > 307.103084861 > 1 > 39 > 1.188612890515966e-07 > 34.22480823447255 > 1 > 0 > 0 > 0 > N-methyl-N-(3-methylphenyl)-1-(naphthalen-2-yloxy)methanethioamide > 4.87 > 5.745039567000001 > -5.75 > 0 > 0 > 3 > 0 > 0.0750404874955417 > 12.47 > 94.92040000000004 > 3 > 0 > 5.46e-04 g/l > biotin > 1 $$$$