| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2ccc(NC(=S)NCc1cccnc1)cc2)N3CCCCC3 |
| InChI | InChI | 1.03 | InChI=1S/C18H22N4O2S2/c23-26(24,22-11-2-1-3-12-22)17-8-6-16(7-9-17)21-18(25)20-14-15-5-4-10-19-13-15/h4-10,13H,1-3,11-12,14H2,(H2,20,21,25) |
| InChIKey | InChI | 1.03 | NIADLWNDYLCGNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=[S](=O)(N1CCCCC1)c2ccc(NC(=S)NCc3cccnc3)cc2 |
| SMILES | CACTVS | 3.370 | O=[S](=O)(N1CCCCC1)c2ccc(NC(=S)NCc3cccnc3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3 |
