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

Systemtic Name: 2-methyl-3-[[3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]benzoic acid Openeye Name: 3-[[2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid CAS Name: 3-[[2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[[2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]-2-methyl-benzoic acid Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H23NO4S/c1-17-21(24(28)29)13-8-14-22(17)26-23(27)20(15-18-9-4-2-5-10-18)16-31-25(30)19-11-6-3-7-12-19/h2-14,20H,15-16H2,1H3,(H,26,27)(H,28,29)