| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1CC(CN(C1)C(=O)Cc1ccccc1SC)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H22N2O2S/c1-11-7-13(16(17)20)10-18(9-11)15(19)8-12-5-3-4-6-14(12)21-2/h3-6,11,13H,7-10H2,1-2H3,(H2,17,20)/t11-,13-/m0/s1 |
| InChIKey | InChI | 1.06 | KCUWPJSIVYQWJM-AAEUAGOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccccc1CC(=O)N2C[C@@H](C)C[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ccccc1CC(=O)N2C[CH](C)C[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1C[C@@H](CN(C1)C(=O)Cc2ccccc2SC)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CC(CN(C1)C(=O)Cc2ccccc2SC)C(=O)N |
