Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
概要配置情報関連するPDBエントリー

K01

概要
表記:N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
組成式:C18 H22 N2 O2 S2
電荷:0
化学式量:362.509 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04N,N-diethyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
OpenEye OEToolkits1.5.0N,N-diethyl-2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-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
SMILESACDLabs10.04O=C(c1c3c(sc1NC(=O)c2sccc2)CCCC3)N(CC)CC
SMILES_CANONICALCACTVS3.341CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc3CCCCc13
SMILESCACTVS3.341CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc3CCCCc13
SMILES_CANONICALOpenEye OEToolkits1.5.0CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2
SMILESOpenEye OEToolkits1.5.0CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2
InChIInChI1.03InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)
InChIKeyInChI1.03NZTHBWHANVWSRX-UHFFFAOYSA-N

222415

件を2024-07-10に公開中

PDB statisticsPDBj update infoContact PDBjnumon