| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(Cc1cccnc1)C(N3CCN(C(=O)c2cccs2)CC3)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H18N4O2S/c21-15(14-4-2-10-23-14)19-6-8-20(9-7-19)16(22)18-12-13-3-1-5-17-11-13/h1-5,10-11H,6-9,12H2,(H,18,22) |
| InChIKey | InChI | 1.03 | QWTHOPVYVVYMKH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1cccnc1)N2CCN(CC2)C(=O)c3sccc3 |
| SMILES | CACTVS | 3.385 | O=C(NCc1cccnc1)N2CCN(CC2)C(=O)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3 |
