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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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