4-[[(3-bromophenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(3-bromophenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-bromophenyl)methyl-(p-tolylcarbamothioyl)amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[(3-bromophenyl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-bromophenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-bromobenzyl)-(p-tolylthiocarbamoyl)amino]methyl]cyclohexanecarboxylic acid Formula: C23H27BrN2O2S MolecularWeight: 475.44168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H27BrN2O2S/c1-16-5-11-21(12-6-16)25-23(29)26(15-18-3-2-4-20(24)13-18)14-17-7-9-19(10-8-17)22(27)28/h2-6,11-13,17,19H,7-10,14-15H2,1H3,(H,25,29)(H,27,28)