2-{5-[1-[5-(4-Tert-butyl-phenyl)-furan-2-yl]-meth-(e)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid

HCID 24775725
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)c1ccc(-c2ccc(/C=C3/SC(=S)N(Nc4ccccc4C(=O)O)C3=O)o2)cc1
InChIKey
GEFVXEKJEVYULZ-KGENOOAVSA-N
Molecular formula
C25H22N2O4S2
Average molar mass
478.6 g/mol
Monoisotopic mass
478.10209953

Names & identifiers

Preferred name
2-{5-[1-[5-(4-Tert-butyl-phenyl)-furan-2-yl]-meth-(e)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid
IUPAC
2-[[(5E)-5-[[5-(4-tert-butylphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid

Names & synonyms

SCHEMBL3035999GEFVXEKJEVYULZ-KGENOOAVSA-N2-{5-[1-[5-(4-tert-butyl-phenyl)-furan-2-yl]-meth-(e)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid

Database identifiers

PubChem CID
24775725

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
140 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
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Linked notes

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