CHEBI:109738 - 4-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid

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ChEBI Name 4-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid ChEBI ID CHEBI:109738 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H16N4O3S2 Net Charge 0 Average Mass 400.477 Monoisotopic Mass 400.06638 InChI InChI=1S/C18H16N4O3S2/c1-11-3-2-4-14(9-11)20-17-21-22-18(27-17)26-10-15(23)19-13-7-5-12(6-8-13)16(24)25/h2-9H,10H2,1H3,(H,19,23)(H,20,21)(H,24,25) InChIKey LFEVDFNYMWKMJP-UHFFFAOYSA-N SMILES CC1=CC(=CC=C1)NC2=NN=C(S2)SCC(=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 ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid (CHEBI:109738) is a amidobenzoic acid (CHEBI:48470) Manual Xref Database LSM-21166 LINCS View more database links