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

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(4-bromophenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoate CAS Name: 4-[[(4-bromophenyl)methyl-[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-bromophenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[(4-bromobenzyl)-[(3,5-dimethylphenyl)thiocarbamoyl]amino]methyl]benzoate Formula: C24H22BrN2O2S- MolecularWeight: 482.41268

Click to see the large picture

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)/p-1