Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1nc(NCc2ccc(O)cc2)cc(SC(=O)Cc2ccccc2)n1 |
InChI | InChI | 1.03 | InChI=1S/C19H16ClN3O2S/c20-19-22-16(21-12-14-6-8-15(24)9-7-14)11-17(23-19)26-18(25)10-13-4-2-1-3-5-13/h1-9,11,24H,10,12H2,(H,21,22,23) |
InChIKey | InChI | 1.03 | FGFZLZHWBMYAOE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CNc2cc(SC(=O)Cc3ccccc3)nc(Cl)n2)cc1 |
SMILES | CACTVS | 3.385 | Oc1ccc(CNc2cc(SC(=O)Cc3ccccc3)nc(Cl)n2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(=O)Sc2cc(nc(n2)Cl)NCc3ccc(cc3)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC(=O)Sc2cc(nc(n2)Cl)NCc3ccc(cc3)O |