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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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