| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1c2cccnc2ccc1SC)N1CCCC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C17H20N4O2S/c1-24-14-7-6-13-12(5-2-8-19-13)15(14)20-17(23)21-9-3-4-11(10-21)16(18)22/h2,5-8,11H,3-4,9-10H2,1H3,(H2,18,22)(H,20,23)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | CYBVNZOMOMLBBC-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccc2ncccc2c1NC(=O)N3CCC[C@@H](C3)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ccc2ncccc2c1NC(=O)N3CCC[CH](C3)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1ccc2c(c1NC(=O)N3CCC[C@@H](C3)C(=O)N)cccn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1ccc2c(c1NC(=O)N3CCCC(C3)C(=O)N)cccn2 |
