N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide

HCID 796265

基本情報

標準SMILES
N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCC2
InChIKey
IBQJWZNNSYUOII-UHFFFAOYSA-N
分子式
C17H15N3OS2
平均分子量
341.5 g/mol

名称と識別子

優先名称
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
IUPAC
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide

名称と別名

121746-08-5N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamideN-benzoyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thioureaN-((3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)benzamideIBQJWZNNSYUOII-UHFFFAOYSA-NSMR000175582MLS000561752SCHEMBL1622732CHEMBL1409180HMS2558A17STK1634981-Benzoyl-3-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-thiourea
名称をさらに表示
AKOS000505333PD127762ST50235687AB00081521-01AJ-292/40175630N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylcarbamothioyl)-benzamideN-{[(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))amino]thioxomethyl}benza mide

データベース識別子

PubChem CID
796265
ChEMBL
CHEMBL1409180

物性

構造計算による物性

XLogP
4.5
極性表面積
125 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
2
重原子数
23

関連反応

5 件

関連ノート

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