Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(CCl)N(C(c1cccs1)C(=O)NCCc1ccccc1)c1ccc(OC)c(Cl)c1 |
InChI | InChI | 1.03 | InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)/t22-/m0/s1 |
InChIKey | InChI | 1.03 | UNVKYJSNMVDZJE-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1Cl)N([C@H](C(=O)NCCc2ccccc2)c3sccc3)C(=O)CCl |
SMILES | CACTVS | 3.385 | COc1ccc(cc1Cl)N([CH](C(=O)NCCc2ccccc2)c3sccc3)C(=O)CCl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1Cl)N([C@@H](c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1Cl)N(C(c2cccs2)C(=O)NCCc3ccccc3)C(=O)CCl |