4-[[(4-bromophenyl)methyl-[(3-methoxyphenyl)carbamothioyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(3-methoxyphenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(4-bromophenyl)methyl-[(3-methoxyphenyl)carbamothioyl]amino]methyl]benzoic acid CAS Name: 4-[[(4-bromophenyl)methyl-[(3-methoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-bromophenyl)methyl-[(3-methoxyphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(4-bromobenzyl)-[(3-methoxyphenyl)thiocarbamoyl]amino]methyl]benzoic acid Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H21BrN2O3S/c1-29-21-4-2-3-20(13-21)25-23(30)26(15-17-7-11-19(24)12-8-17)14-16-5-9-18(10-6-16)22(27)28/h2-13H,14-15H2,1H3,(H,25,30)(H,27,28)