VNN
概要
| 表記: | (4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone |
| 組成式: | C11 H16 N2 O S |
| 電荷: | 0 |
| 化学式量: | 224.323 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 | (4-methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | (4-methylpiperazin-1-yl)-(5-methylthiophen-3-yl)methanone |
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 | Cc1cc(cs1)C(=O)N1CCN(C)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C11H16N2OS/c1-9-7-10(8-15-9)11(14)13-5-3-12(2)4-6-13/h7-8H,3-6H2,1-2H3 |
| InChIKey | InChI | 1.06 | SXUGOFSFLSCLEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2csc(C)c2 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)c2csc(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cs1)C(=O)N2CCN(CC2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cs1)C(=O)N2CCN(CC2)C |
