| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C23H26N4O4S/c28-22(29)20-7-2-1-4-17(20)8-9-27-21(24-25-23(27)32)18-5-3-6-19(16-18)31-15-12-26-10-13-30-14-11-26/h1-7,16H,8-15H2,(H,25,32)(H,28,29) |
| InChIKey | InChI | 1.06 | ZBUBAKYGXCFNIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1CCN2C(=S)NN=C2c3cccc(OCCN4CCOCC4)c3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1CCN2C(=S)NN=C2c3cccc(OCCN4CCOCC4)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CCN2C(=NNC2=S)c3cccc(c3)OCCN4CCOCC4)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)CCN2C(=NNC2=S)c3cccc(c3)OCCN4CCOCC4)C(=O)O |
