4-[[4-[2-[(2-bromophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[2-[(2-bromophenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(2-bromoanilino)-2-oxo-1-phenyl-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(2-bromoanilino)-2-oxo-1-phenylethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(2-bromoanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(2-bromoanilino)-2-keto-1-phenyl-ethyl]thio]anilino]-4-keto-butyric acid Formula: C24H21BrN2O4S MolecularWeight: 513.40354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2Br)SC3=CC=C(C=C3)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2Br)SC3=CC=C(C=C3)NC(=O)CCC(=O)O

InChI

InChI=1S/C24H21BrN2O4S/c25-19-8-4-5-9-20(19)27-24(31)23(16-6-2-1-3-7-16)32-18-12-10-17(11-13-18)26-21(28)14-15-22(29)30/h1-13,23H,14-15H2,(H,26,28)(H,27,31)(H,29,30)