Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H23ClN2O3S/c25-14-22(28)26-12-10-24(11-13-26)27(23(29)16-31-24)15-18-8-9-21(30-18)20-7-3-5-17-4-1-2-6-19(17)20/h1-9H,10-16H2 |
InChIKey | InChI | 1.03 | CQONNOYAHGRTDI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4cccc5ccccc45 |
SMILES | CACTVS | 3.385 | ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(cc3)c4cccc5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2c3ccc(o3)CN4C(=O)CSC45CCN(CC5)C(=O)CCl |