| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CSc1ccccc1CC(=O)N1CCC=2N=CNC(=O)C=2C1 |
| InChI | InChI | 1.06 | InChI=1S/C16H17N3O2S/c1-22-14-5-3-2-4-11(14)8-15(20)19-7-6-13-12(9-19)16(21)18-10-17-13/h2-5,10H,6-9H2,1H3,(H,17,18,21) |
| InChIKey | InChI | 1.06 | AETMPRGAEUVJPB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccccc1CC(=O)N2CCC3=C(C2)C(=O)NC=N3 |
| SMILES | CACTVS | 3.385 | CSc1ccccc1CC(=O)N2CCC3=C(C2)C(=O)NC=N3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1CC(=O)N2CCC3=C(C2)C(=O)NC=N3 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1CC(=O)N2CCC3=C(C2)C(=O)NC=N3 |
