2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]benzoic acid

Systemtic Name: 2-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]benzoic acid Openeye Name: 2-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoic acid CAS Name: 2-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 2-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoic acid Traditional Name: 2-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid Formula: C24H21NO4S MolecularWeight: 419.49284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H21NO4S/c26-22(25-21-14-8-7-13-20(21)23(27)28)19(15-17-9-3-1-4-10-17)16-30-24(29)18-11-5-2-6-12-18/h1-14,19H,15-16H2,(H,25,26)(H,27,28)