3-[2-phenyl-4-[(3-sulfanylphenyl)carbonylamino]phenyl]benzoic acid

Systemtic Name: 3-[2-phenyl-4-[(3-sulfanylphenyl)carbonylamino]phenyl]benzoic acid Openeye Name: 3-[2-phenyl-4-[(3-sulfanylbenzoyl)amino]phenyl]benzoic acid CAS Name: 3-[4-[[(3-mercaptophenyl)-oxomethyl]amino]-2-phenylphenyl]benzoic acid IUPAC Name: 3-[2-phenyl-4-[(3-sulfanylbenzoyl)amino]phenyl]benzoic acid Traditional Name: 3-[4-[(3-mercaptobenzoyl)amino]-2-phenyl-phenyl]benzoic acid Formula: C26H19NO3S MolecularWeight: 425.49896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)S)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)S)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C26H19NO3S/c28-25(19-9-5-11-22(31)15-19)27-21-12-13-23(18-8-4-10-20(14-18)26(29)30)24(16-21)17-6-2-1-3-7-17/h1-16,31H,(H,27,28)(H,29,30)