U5E
概要
| 表記: | N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide |
| 別名: | ~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide; N-Methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxamide; N-methyl-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide; N-methyl-4H,5H-naphtho[1,2-b]thiophene-2-carboxamide |
| 組成式: | C14 H13 N O S |
| 電荷: | 0 |
| 化学式量: | 243.324 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | ~{N}-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-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 |
| InChI | InChI | 1.03 | InChI=1S/C14H13NOS/c1-15-14(16)12-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12/h2-5,8H,6-7H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | ADOUOUVBTDMDIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1sc2c(CCc3ccccc23)c1 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1sc2c(CCc3ccccc23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc2c(s1)-c3ccccc3CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc2c(s1)-c3ccccc3CC2 |
