4-[[(4-bromophenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(4-bromophenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoic acid CAS Name: 4-[[(4-bromophenyl)methyl-[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-bromophenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(4-bromobenzyl)-[(3,5-dimethylphenyl)thiocarbamoyl]amino]methyl]benzoic acid Formula: C24H23BrN2O2S MolecularWeight: 483.42062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C24H23BrN2O2S/c1-16-11-17(2)13-22(12-16)26-24(30)27(15-19-5-9-21(25)10-6-19)14-18-3-7-20(8-4-18)23(28)29/h3-13H,14-15H2,1-2H3,(H,26,30)(H,28,29)