3-methyl-4-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]benzoic acid

Systemtic Name: 3-methyl-4-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]benzoic acid Openeye Name: 3-methyl-4-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-methyl-4-[[2-phenyl-2-(phenylthio)acetyl]amino]benzoic acid Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H19NO3S/c1-15-14-17(22(25)26)12-13-19(15)23-21(24)20(16-8-4-2-5-9-16)27-18-10-6-3-7-11-18/h2-14,20H,1H3,(H,23,24)(H,25,26)