| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H19N3O3S/c22-21(23)18-10-15(14-4-2-1-3-5-14)19(28-18)11-24-20(25)9-13-6-7-16-17(8-13)27-12-26-16/h1-8,10H,9,11-12H2,(H3,22,23)(H,24,25) |
| InChIKey | InChI | 1.03 | SEHSYDKIRJLARO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1sc(CNC(=O)Cc2ccc3OCOc3c2)c(c1)c4ccccc4 |
| SMILES | CACTVS | 3.385 | NC(=N)c1sc(CNC(=O)Cc2ccc3OCOc3c2)c(c1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1cc(c(s1)CNC(=O)Cc2ccc3c(c2)OCO3)c4ccccc4)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(sc2CNC(=O)Cc3ccc4c(c3)OCO4)C(=N)N |
