| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1cccnc1SC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C13H18N4O2S/c1-20-12-10(5-2-6-15-12)16-13(19)17-7-3-4-9(8-17)11(14)18/h2,5-6,9H,3-4,7-8H2,1H3,(H2,14,18)(H,16,19)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | FBDCWTCKYSQXKW-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ncccc1NC(=O)N2CCC[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ncccc1NC(=O)N2CCC[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1c(cccn1)NC(=O)N2CCC[C@@H](C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1c(cccn1)NC(=O)N2CCCC(C2)C(=O)N |
