種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C19H27Cl2N3O3S2/c1-23(2)7-9-29-28-8-5-22-18(26)13-4-3-6-24(12-13)19(27)14-10-15(20)17(25)16(21)11-14/h10-11,13,25H,3-9,12H2,1-2H3,(H,22,26)/t13-/m0/s1 |
InChIKey | InChI | 1.06 | UKBAKSHRJHOHKZ-ZDUSSCGKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc(Cl)c(O)c(Cl)c2 |
SMILES | CACTVS | 3.385 | CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(Cl)c(O)c(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc(c(c(c2)Cl)O)Cl |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(C)CCSSCCNC(=O)C1CCCN(C1)C(=O)c2cc(c(c(c2)Cl)O)Cl |