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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

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