4-[[(4-ethylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=CC=C3C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=CC=C3C

InChI

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