| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1nc(sc1C(C)C)C3NCc2ccccc2C3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1sc(nc1C(O)=O)[C@@H]2Cc3ccccc3CN2 |
| SMILES | CACTVS | 3.341 | CC(C)c1sc(nc1C(O)=O)[CH]2Cc3ccccc3CN2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1c(nc(s1)[C@@H]2Cc3ccccc3CN2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1c(nc(s1)C2Cc3ccccc3CN2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H18N2O2S/c1-9(2)14-13(16(19)20)18-15(21-14)12-7-10-5-3-4-6-11(10)8-17-12/h3-6,9,12,17H,7-8H2,1-2H3,(H,19,20)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | HCUGCUQZFBURHR-LBPRGKRZSA-N |
