3-[[4-[(4-bromophenyl)sulfanylmethyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-[(4-bromophenyl)sulfanylmethyl]phenyl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[(4-bromophenyl)sulfanylmethyl]benzoyl]amino]benzoic acid CAS Name: 3-[[[4-[[(4-bromophenyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-[(4-bromophenyl)sulfanylmethyl]benzoyl]amino]benzoic acid Traditional Name: 3-[[4-[[(4-bromophenyl)thio]methyl]benzoyl]amino]benzoic acid Formula: C21H16BrNO3S MolecularWeight: 442.32564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C21H16BrNO3S/c22-17-8-10-19(11-9-17)27-13-14-4-6-15(7-5-14)20(24)23-18-3-1-2-16(12-18)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)