4-[[(2,6-dimethylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(2,6-dimethylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(2,6-dimethylphenyl)carbamothioyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2,6-dimethylanilino)-sulfanylidenemethyl]-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(2,6-dimethylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2,6-dimethylphenyl)thiocarbamoyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylate Formula: C25H31N2O2S- MolecularWeight: 423.59084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=CC=C3C

InChI

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