2-{5-[1-[5-(5-tert-Butyl-2-hydroxy-phenyl)-furan-2-yl]-methylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid

HCID 86644299
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Basic information

Standard SMILES
CC(C)(C)c1ccc(O)c(-c2ccc(C=C3SC(=S)N(Nc4ccccc4C(=O)O)C3=O)o2)c1
InChIKey
GPEALFVWGNRJID-UHFFFAOYSA-N
Molecular formula
C25H22N2O5S2
Average molar mass
494.6 g/mol
Monoisotopic mass
494.09701415

Names & identifiers

Preferred name
2-{5-[1-[5-(5-tert-Butyl-2-hydroxy-phenyl)-furan-2-yl]-methylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid
IUPAC
2-[[5-[[5-(5-tert-butyl-2-hydroxyphenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]amino]benzoic acid

Names & synonyms

SCHEMBL3029929GPEALFVWGNRJID-UHFFFAOYSA-N2-{5-[1-[5-(5-tert-Butyl-2-hydroxy-phenyl)-furan-2-yl]-methylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid

Database identifiers

PubChem CID
86644299

Properties

Computed structural properties

XLogP
7
Topological polar surface area
160 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
34

Related reactions

2 records
New reaction record

Linked notes

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