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

Systemtic Name: 4-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H20N2O4S/c1-15(26)24-19-8-5-9-20(14-19)30-21(16-6-3-2-4-7-16)22(27)25-18-12-10-17(11-13-18)23(28)29/h2-14,21H,1H3,(H,24,26)(H,25,27)(H,28,29)