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

Systemtic Name: 4-[[4-[(4-bromophenyl)sulfanylmethyl]phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[4-[(4-bromophenyl)sulfanylmethyl]benzoyl]amino]benzoic acid CAS Name: 4-[[[4-[[(4-bromophenyl)thio]methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-[(4-bromophenyl)sulfanylmethyl]benzoyl]amino]benzoic acid Traditional Name: 4-[[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=C1CSC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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