Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1cc(n[NH]1)Cn1ccc2ccc(cc21)c1cc2cccc(Cl)c2s1 |
InChI | InChI | 1.03 | InChI=1S/C21H14ClN3O2S/c22-16-3-1-2-14-9-19(28-20(14)16)13-5-4-12-6-7-25(18(12)8-13)11-15-10-17(21(26)27)24-23-15/h1-10H,11H2,(H,23,24)(H,26,27) |
InChIKey | InChI | 1.03 | YGJVVGJDTMKYJP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]nc(Cn2ccc3ccc(cc23)c4sc5c(Cl)cccc5c4)c1 |
SMILES | CACTVS | 3.385 | OC(=O)c1[nH]nc(Cn2ccc3ccc(cc23)c4sc5c(Cl)cccc5c4)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc(sc2c(c1)Cl)c3ccc4ccn(c4c3)Cc5cc([nH]n5)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc(sc2c(c1)Cl)c3ccc4ccn(c4c3)Cc5cc([nH]n5)C(=O)O |