| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(c1ccccc1SC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C14H18N2O2S/c1-19-12-7-3-2-6-11(12)14(18)16-8-4-5-10(9-16)13(15)17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,15,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | YOUXGCKURFHYGE-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccccc1C(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ccccc1C(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1C(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1C(=O)N2CCCC(C2)C(=O)N |
