2-[[4-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-[1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[4-[[1-oxo-1-(4-phenoxyanilino)propan-2-yl]thio]anilino]methyl]benzoic acid IUPAC Name: 2-[[4-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-[[2-keto-1-methyl-2-(4-phenoxyanilino)ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C29H24N2O5S MolecularWeight: 512.57626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C29H24N2O5S/c1-19(27(32)30-20-11-15-23(16-12-20)36-22-7-3-2-4-8-22)37-24-17-13-21(14-18-24)31-28(33)25-9-5-6-10-26(25)29(34)35/h2-19H,1H3,(H,30,32)(H,31,33)(H,34,35)