| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C3C1=C(NC(=S)NC1c2cccc(O)c2)CCC3 |
| SMILES_CANONICAL | CACTVS | 3.352 | Oc1cccc(c1)[C@@H]2NC(=S)NC3=C2C(=O)CCC3 |
| SMILES | CACTVS | 3.352 | Oc1cccc(c1)[CH]2NC(=S)NC3=C2C(=O)CCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2 |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(cc(c1)O)C2C3=C(CCCC3=O)NC(=S)N2 |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,13,17H,2,5-6H2,(H2,15,16,19)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | BJTGVSGWTIUCSM-ZDUSSCGKSA-N |
