| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18N4O2S/c1-12(14-4-3-5-15(10-14)24-2)20-17(23)22-18-21-16(11-25-18)13-6-8-19-9-7-13/h3-12H,1-2H3,(H2,20,21,22,23)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | PZUHTMLHMMXBQW-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cccc(c1)[C@@H](C)NC(=O)Nc2scc(n2)c3ccncc3 |
| SMILES | CACTVS | 3.370 | COc1cccc(c1)[CH](C)NC(=O)Nc2scc(n2)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@H](c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(c1cccc(c1)OC)NC(=O)Nc2nc(cs2)c3ccncc3 |
