4-[[2-phenyl-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-phenyl-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-phenyl-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C29H24N2O4S MolecularWeight: 496.57686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N2O4S/c32-26(18-20-8-3-1-4-9-20)30-24-12-7-13-25(19-24)36-27(21-10-5-2-6-11-21)28(33)31-23-16-14-22(15-17-23)29(34)35/h1-17,19,27H,18H2,(H,30,32)(H,31,33)(H,34,35)