AC1LUJ3F structure

AC1LUJ3F

2-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Also Known As: (Z)-2-(4-(5-(4-ethylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide|2-({4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide|2-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS: 315243-75-5
Molecular Formula C25H27N3O3S3
Molecular Weight 513.12146 g/mol
LogP 4.9083
Topological Polar Surface Area 92.5 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 513.12146
Monoisotopic Mass 513.12146
Heavy Atoms 34
Complexity 1168.0588

Chemical Identifiers

CAS Number 315243-75-5
SMILES CCC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Product Overview

AC1LUJ3F (CAS 315243-75-5), with molecular formula C25H27N3O3S3 and molecular weight 513.12146 g/mol. IUPAC: 2-[4-[(5Z)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

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