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

HCID 86644301
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Basic information

Standard SMILES
O=C(O)c1ccccc1NN1C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S
InChIKey
YDZDAXHFRSXOQX-UHFFFAOYSA-N
Molecular formula
C21H13N3O6S2
Average molar mass
467.5 g/mol
Monoisotopic mass
467.02457749

Names & identifiers

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

Names & synonyms

SCHEMBL3033521YDZDAXHFRSXOQX-UHFFFAOYSA-N2-{5-[1-[5-(3-Nitro-phenyl)-furan-2-yl]-methylidene]-4-oxo-2-thioxo-thiazolidin-3-ylamino}-benzoic acid

Database identifiers

PubChem CID
86644301

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
186 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Linked notes

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