Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1sc(cc1)C(O)(c2sc(Cl)cc2)C4C3CCN(CC3)C4 |
InChI | InChI | 1.03 | InChI=1S/C16H17Cl2NOS2/c17-14-3-1-12(21-14)16(20,13-2-4-15(18)22-13)11-9-19-7-5-10(11)6-8-19/h1-4,10-11,20H,5-9H2/t11-/m0/s1 |
InChIKey | InChI | 1.03 | ZDHSJVXBNDEQSR-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC([C@H]1CN2CCC1CC2)(c3sc(Cl)cc3)c4sc(Cl)cc4 |
SMILES | CACTVS | 3.370 | OC([CH]1CN2CCC1CC2)(c3sc(Cl)cc3)c4sc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(sc1C(c2ccc(s2)Cl)(C3CN4CCC3CC4)O)Cl |