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

Systemtic Name: 2-[[4-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[2-(2-chlorophenyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[[2-(2-chlorophenyl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-(2-chlorophenyl)-2-keto-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C22H16ClNO4S MolecularWeight: 425.88474

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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=CC=C3Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C22H16ClNO4S/c23-19-8-4-3-7-18(19)20(25)13-29-15-11-9-14(10-12-15)24-21(26)16-5-1-2-6-17(16)22(27)28/h1-12H,13H2,(H,24,26)(H,27,28)