Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3ccc(N2C(=S)N(C)C(c1ccc(O)cc1)(C2=O)C)cc3Cl |
InChI | InChI | 1.03 | InChI=1S/C17H14Cl2N2O2S/c1-17(10-3-6-12(22)7-4-10)15(23)21(16(24)20(17)2)11-5-8-13(18)14(19)9-11/h3-9,22H,1-2H3/t17-/m1/s1 |
InChIKey | InChI | 1.03 | YPONBLYNQFHCLA-QGZVFWFLSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=S)N(C(=O)[C@@]1(C)c2ccc(O)cc2)c3ccc(Cl)c(Cl)c3 |
SMILES | CACTVS | 3.370 | CN1C(=S)N(C(=O)[C]1(C)c2ccc(O)cc2)c3ccc(Cl)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O |