NM7
概要
| 表記: | 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide |
| 組成式: | C12 H10 F N3 O2 S |
| 電荷: | 0 |
| 化学式量: | 279.29 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 2-(aminocarbonylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1sc(cc1C(=O)N)c2ccc(F)cc2)N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)Nc1sc(cc1C(N)=O)c2ccc(F)cc2 |
| SMILES | CACTVS | 3.370 | NC(=O)Nc1sc(cc1C(N)=O)c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F |
| InChI | InChI | 1.03 | InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18) |
| InChIKey | InChI | 1.03 | SAYGKHKXGCPTLX-UHFFFAOYSA-N |
