CHEBI:92946 - 4-[[4-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid

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ChEBI Name 4-[[4-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid
ChEBI ID CHEBI:92946
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H22N2O4S2
Net Charge 0
Average Mass 466.576
Monoisotopic Mass 466.10210
InChI InChI=1S/C24H22N2O4S2/c1-16(14-17-6-3-2-4-7-17)15-20-22(28)26(24(31)32-20)13-5-8-21(27)25-19-11-9-18(10-12-19)23(29)30/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,27)(H,29,30)
InChIKey MZEGQCZARRMPMR-UHFFFAOYSA-N
SMILES CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-[[4-[5-(2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid (CHEBI:92946) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-3200 LINCS
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