Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H21ClN2O3S/c21-12-18(24)22-10-8-20(9-11-22)23(19(25)14-27-20)13-16-6-7-17(26-16)15-4-2-1-3-5-15/h1-7H,8-14H2 |
InChIKey | InChI | 1.03 | VQODBXUPRRJDAB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(o2)CN3C(=O)CSC34CCN(CC4)C(=O)CCl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(o2)CN3C(=O)CSC34CCN(CC4)C(=O)CCl |