5-[[2-[4-[(4-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-[4-[(4-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[4-[[(4-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-phenyl-2-[[4-(p-toluoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C29H24N2O5S MolecularWeight: 512.57626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)O)C(=O)O

InChI

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