Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2sc1nc(cc1c2)C(=O)NC4Cc3ccccc3C4O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@@H](Cc2ccccc12)NC(=O)c3[nH]c4sc(Cl)cc4c3 |
SMILES | CACTVS | 3.341 | O[CH]1[CH](Cc2ccccc12)NC(=O)c3[nH]c4sc(Cl)cc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C[C@H]([C@@H]2O)NC(=O)c3cc4cc(sc4[nH]3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)CC(C2O)NC(=O)c3cc4cc(sc4[nH]3)Cl |
InChI | InChI | 1.03 | InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1 |
InChIKey | InChI | 1.03 | LRHOLHTVXXSIMG-BXUZGUMPSA-N |