Y0D
概要
表記: | N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
組成式: | C14 H19 N3 O2 S |
電荷: | 0 |
化学式量: | 293.385 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 | N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-(cyclopropylmethyl)-4-thiophen-2-ylcarbonyl-piperazine-1-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 | N(CC1CC1)C(N3CCN(C(=O)c2cccs2)CC3)=O |
InChI | InChI | 1.03 | InChI=1S/C14H19N3O2S/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19) |
InChIKey | InChI | 1.03 | JVDHYYWAYKTYDN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCC1CC1)N2CCN(CC2)C(=O)c3sccc3 |
SMILES | CACTVS | 3.385 | O=C(NCC1CC1)N2CCN(CC2)C(=O)c3sccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |