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CHEBI:93574 - 3-[[4-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid

ChEBI IDCHEBI:93574
ChEBI Name3-[[4-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid
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DownloadsMolfile
FormulaC22H20N2O4S2
Net Charge0
Average Mass440.546
Monoisotopic Mass440.08645
SMILESCc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3cccc(C(=O)O)c3)C2=O)cc1
InChIInChI=1S/C22H20N2O4S2/c1-14-7-9-15(10-8-14)12-18-20(26)24(22(29)30-18)11-3-6-19(25)23-17-5-2-4-16(13-17)21(27)28/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,27,28)
InChIKeyVYBKTUCFFKTPCF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[[4-[5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid (CHEBI:93574) is a amidobenzoic acid (CHEBI:48470)
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