Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)CC(C)c1ccc(cc1)c1c2c(NC(=O)c3sccc32)c(C)cc1O |
InChI | InChI | 1.03 | InChI=1S/C23H24N2O2S/c1-13-11-18(26)19(16-7-5-15(6-8-16)14(2)12-25(3)4)20-17-9-10-28-22(17)23(27)24-21(13)20/h5-11,14,26H,12H2,1-4H3,(H,24,27)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | XCFRUAOZMVFDPQ-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CN(C)C)c1ccc(cc1)c2c(O)cc(C)c3NC(=O)c4sccc4c23 |
SMILES | CACTVS | 3.385 | C[CH](CN(C)C)c1ccc(cc1)c2c(O)cc(C)c3NC(=O)c4sccc4c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c-2c1NC(=O)c3c2ccs3)c4ccc(cc4)[C@@H](C)CN(C)C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c-2c1NC(=O)c3c2ccs3)c4ccc(cc4)C(C)CN(C)C)O |