PDB CCD ID: | HBY |
Number of entries in BioLiP: | 4 |
Chemical formula: | C15 H20 N2 O3 S2 |
InChI: | InChI=1S/C15H20N2O3S2/c1-9(2)20-15(18)17-12-7-10(19-3)5-6-11(12)16-14(21)13(17)8-22-4/h5-7,9,13H,8H2,1-4H3,(H,16,21)/t13-/m0/s1 |
InChIKey: | GWKIPRVERALPRD-ZDUSSCGKSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | CC(C)OC(=O)N1c2cc(ccc2NC(=S)[C@@H]1CSC)OC | OpenEye OEToolkits 1.5.0 | CC(C)OC(=O)N1c2cc(ccc2NC(=S)C1CSC)OC | CACTVS 3.341 | COc1ccc2NC(=S)[CH](CSC)N(C(=O)OC(C)C)c2c1 | ACDLabs 10.04 | S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2CSC | CACTVS 3.341 | COc1ccc2NC(=S)[C@H](CSC)N(C(=O)OC(C)C)c2c1 |
|
Name: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE; HBY 097 |
ChEMBL: | CHEMBL430488 |
DrugBank: | DB07885 |
ZINC: | ZINC000003870431 |