3-[2-phenyl-4-(3-sulfanylpropanoylamino)phenyl]benzoic acid

Systemtic Name: 3-[2-phenyl-4-(3-sulfanylpropanoylamino)phenyl]benzoic acid Openeye Name: 3-[2-phenyl-4-(3-sulfanylpropanoylamino)phenyl]benzoic acid CAS Name: 3-[4-[(3-mercapto-1-oxopropyl)amino]-2-phenylphenyl]benzoic acid IUPAC Name: 3-[2-phenyl-4-(3-sulfanylpropanoylamino)phenyl]benzoic acid Traditional Name: 3-[4-(3-mercaptopropanoylamino)-2-phenyl-phenyl]benzoic acid Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)NC(=O)CCS)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)NC(=O)CCS)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C22H19NO3S/c24-21(11-12-27)23-18-9-10-19(16-7-4-8-17(13-16)22(25)26)20(14-18)15-5-2-1-3-6-15/h1-10,13-14,27H,11-12H2,(H,23,24)(H,25,26)