4-[[(3,5-dimethylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(3,5-dimethylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3,5-dimethylphenyl)carbamothioyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(3,5-dimethylanilino)-sulfanylidenemethyl]-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3,5-dimethylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3,5-dimethylphenyl)thiocarbamoyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylate Formula: C25H31N2O2S- MolecularWeight: 423.59084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2S/c1-17-12-18(2)14-23(13-17)26-25(30)27(16-22-7-5-4-6-19(22)3)15-20-8-10-21(11-9-20)24(28)29/h4-7,12-14,20-21H,8-11,15-16H2,1-3H3,(H,26,30)(H,28,29)/p-1