Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H19ClN2OS/c1-13-16(11-19(25-13)15-9-5-6-10-17(15)21)20(24)23-18(12-22)14-7-3-2-4-8-14/h2-11,18H,12,22H2,1H3,(H,23,24)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | GEDDMFGBKRREEU-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(cc1C(=O)N[C@@H](CN)c2ccccc2)c3ccccc3Cl |
SMILES | CACTVS | 3.385 | Cc1sc(cc1C(=O)N[CH](CN)c2ccccc2)c3ccccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cc(s1)c2ccccc2Cl)C(=O)N[C@@H](CN)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cc(s1)c2ccccc2Cl)C(=O)NC(CN)c3ccccc3 |