4-[[3-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[[3-[2-(diphenylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[oxo-[3-[[2-oxo-2-(N-phenylanilino)ethyl]thio]anilino]methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[[3-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[[3-[[2-keto-2-(N-phenylanilino)ethyl]thio]phenyl]carbamoyl]isophthalic acid Formula: C29H22N2O6S MolecularWeight: 526.55978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22N2O6S/c32-26(31(21-9-3-1-4-10-21)22-11-5-2-6-12-22)18-38-23-13-7-8-20(17-23)30-27(33)24-15-14-19(28(34)35)16-25(24)29(36)37/h1-17H,18H2,(H,30,33)(H,34,35)(H,36,37)