2-[[4-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(2-bromoanilino)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[2-(2-bromoanilino)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(2-bromoanilino)-2-keto-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C22H17BrN2O4S MolecularWeight: 485.35038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C22H17BrN2O4S/c23-18-7-3-4-8-19(18)25-20(26)13-30-15-11-9-14(10-12-15)24-21(27)16-5-1-2-6-17(16)22(28)29/h1-12H,13H2,(H,24,27)(H,25,26)(H,28,29)