5-[[2-[3-[(4-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-[3-[(4-methylphenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[3-[(4-methylbenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-phenyl-2-[[3-(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(=CC=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(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)O)C(=O)O

InChI

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