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

Systemtic Name: 4-chloranyl-3-[[2-phenyl-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-phenyl-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C29H23ClN2O4S MolecularWeight: 531.02192

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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=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H23ClN2O4S/c30-24-15-14-21(29(35)36)17-25(24)32-28(34)27(20-10-5-2-6-11-20)37-23-13-7-12-22(18-23)31-26(33)16-19-8-3-1-4-9-19/h1-15,17-18,27H,16H2,(H,31,33)(H,32,34)(H,35,36)