| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(nn3c(c1cccc(C(=O)NCCN(C)C)c1)cnc3c2)c4sccc4 |
| InChI | InChI | 1.03 | InChI=1S/C21H21N5OS/c1-25(2)11-10-22-21(27)16-6-3-5-15(13-16)18-14-23-20-9-8-17(24-26(18)20)19-7-4-12-28-19/h3-9,12-14H,10-11H2,1-2H3,(H,22,27) |
| InChIKey | InChI | 1.03 | WWJQERVKTFKCOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCNC(=O)c1cccc(c1)c2cnc3ccc(nn23)c4sccc4 |
| SMILES | CACTVS | 3.385 | CN(C)CCNC(=O)c1cccc(c1)c2cnc3ccc(nn23)c4sccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)c4cccs4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)CCNC(=O)c1cccc(c1)c2cnc3n2nc(cc3)c4cccs4 |
