Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3cc(N2C(=O)CSC2c1cc(Br)ccc1)c(O)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(Cl)cc1N2[C@@H](SCC2=O)c3cccc(Br)c3 |
SMILES | CACTVS | 3.341 | Oc1ccc(Cl)cc1N2[CH](SCC2=O)c3cccc(Br)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc(ccc3O)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)Br)C2N(C(=O)CS2)c3cc(ccc3O)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2/t15-/m0/s1 |
InChIKey | InChI | 1.03 | KEGQNJITMFBVAC-HNNXBMFYSA-N |