4-[[(4-chloranyl-3-methyl-phenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(4-chloranyl-3-methyl-phenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(4-chloro-3-methyl-phenyl)carbamothioyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(4-chloro-3-methylanilino)-sulfanylidenemethyl]-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(4-chloro-3-methylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-chloro-3-methyl-phenyl)thiocarbamoyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylate Formula: C24H28ClN2O2S- MolecularWeight: 444.00932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)[O-])C(=S)NC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)[O-])C(=S)NC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C24H29ClN2O2S/c1-16-5-3-4-6-20(16)15-27(14-18-7-9-19(10-8-18)23(28)29)24(30)26-21-11-12-22(25)17(2)13-21/h3-6,11-13,18-19H,7-10,14-15H2,1-2H3,(H,26,30)(H,28,29)/p-1