| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(N)C1CCN(C1)C(=O)Nc1ccccc1SC |
| InChI | InChI | 1.06 | InChI=1S/C13H17N3O2S/c1-19-11-5-3-2-4-10(11)15-13(18)16-7-6-9(8-16)12(14)17/h2-5,9H,6-8H2,1H3,(H2,14,17)(H,15,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | RUITYHVLQKGYIF-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccccc1NC(=O)N2CC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ccccc1NC(=O)N2CC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1NC(=O)N2CC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1NC(=O)N2CCC(C2)C(=O)N |
