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

Systemtic Name: 3-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-(3-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 3-[[2-[(3-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[(3-aminophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)O)SC3=CC=CC(=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)O)SC3=CC=CC(=C3)N

InChI

InChI=1S/C21H18N2O3S/c22-16-9-5-11-18(13-16)27-19(14-6-2-1-3-7-14)20(24)23-17-10-4-8-15(12-17)21(25)26/h1-13,19H,22H2,(H,23,24)(H,25,26)