| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H19N3OS2/c23-22-25-19-11-10-18(12-20(19)28-22)27-14-16-6-8-17(9-7-16)21(26)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,23,25)(H,24,26) |
| InChIKey | InChI | 1.03 | SHIMUUKQGMXWNC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(SCc3ccc(cc3)C(=O)NCc4ccccc4)ccc2n1 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(SCc3ccc(cc3)C(=O)NCc4ccccc4)ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N |
