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

Systemtic Name: 3-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(3-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(3-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(3-aminophenyl)thio]-2-phenyl-acetyl]amino]-4-methyl-benzoic acid Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-14-10-11-16(22(26)27)12-19(14)24-21(25)20(15-6-3-2-4-7-15)28-18-9-5-8-17(23)13-18/h2-13,20H,23H2,1H3,(H,24,25)(H,26,27)