| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C22H34ClN3O3S2/c1-22(2,29-19-7-5-18(23)6-8-19)21(28)26-12-9-17(10-13-26)20(27)24-11-15-30-31-16-14-25(3)4/h5-8,17H,9-16H2,1-4H3,(H,24,27) |
| InChIKey | InChI | 1.06 | AHTLZLMZYZBDHQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)C(C)(C)Oc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)C(C)(C)Oc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C(=O)N1CCC(CC1)C(=O)NCCSSCCN(C)C)Oc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C(=O)N1CCC(CC1)C(=O)NCCSSCCN(C)C)Oc2ccc(cc2)Cl |
