| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | N(c3cc(OCC(O)c2cccc(NC(=[N@H])c1sccc1)c2)ccc3)C(=[N@H])c4sccc4 |
| InChI | InChI | 1.03 | InChI=1S/C24H22N4O2S2/c25-23(21-9-3-11-31-21)27-17-6-1-5-16(13-17)20(29)15-30-19-8-2-7-18(14-19)28-24(26)22-10-4-12-32-22/h1-14,20,29H,15H2,(H2,25,27)(H2,26,28)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | ZCTCFQXRJWOQIL-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](COc1cccc([N]C(=N)c2sccc2)c1)c3cccc(NC(=N)c4sccc4)c3 |
| SMILES | CACTVS | 3.385 | O[CH](COc1cccc([N]C(=N)c2sccc2)c1)c3cccc(NC(=N)c4sccc4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N\[H])/c4cccs4)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)NC(=N)c2cccs2)C(COc3cccc(c3)[N]C(=N)c4cccs4)O |
