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

Systemtic Name: 2-[[4-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-2-(4-phenylphenyl)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C28H21NO4S MolecularWeight: 467.53564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C28H21NO4S/c30-26(21-12-10-20(11-13-21)19-6-2-1-3-7-19)18-34-23-16-14-22(15-17-23)29-27(31)24-8-4-5-9-25(24)28(32)33/h1-17H,18H2,(H,29,31)(H,32,33)