| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | s1cccc1C(=[N@H])Nc2cccc(c2)CCc3cc(ccc3)NC(=[N@H])c4sccc4 |
| InChI | InChI | 1.03 | InChI=1S/C24H22N4S2/c25-23(21-9-3-13-29-21)27-19-7-1-5-17(15-19)11-12-18-6-2-8-20(16-18)28-24(26)22-10-4-14-30-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28) |
| InChIKey | InChI | 1.03 | MNMWXAHXXVXJBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N=C(Nc1cccc(CCc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4 |
| SMILES | CACTVS | 3.370 | N=C(Nc1cccc(CCc2cccc(NC(=N)c3sccc3)c2)c1)c4sccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=N)c2cccs2)CCc3cccc(c3)NC(=N)c4cccs4 |
