| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ncccc1SC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C14H19N3O2S/c1-20-12-5-2-6-16-11(12)8-13(18)17-7-3-4-10(9-17)14(15)19/h2,5-6,10H,3-4,7-9H2,1H3,(H2,15,19)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | MYIKGEYXRPOTHW-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1cccnc1CC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1cccnc1CC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1cccnc1CC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1cccnc1CC(=O)N2CCCC(C2)C(=O)N |
