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

Systemtic Name: 2-[[4-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[2-(4-bromophenyl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(4-bromophenyl)-2-keto-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C22H16BrNO4S MolecularWeight: 470.33574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H16BrNO4S/c23-15-7-5-14(6-8-15)20(25)13-29-17-11-9-16(10-12-17)24-21(26)18-3-1-2-4-19(18)22(27)28/h1-12H,13H2,(H,24,26)(H,27,28)