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

Systemtic Name: 4-[[(2-methylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[o-tolylcarbamothioyl(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2-methylanilino)-sulfanylidenemethyl]-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(2-methylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2-methylbenzyl)-(o-tolylthiocarbamoyl)amino]methyl]cyclohexanecarboxylate Formula: C24H29N2O2S- MolecularWeight: 409.56426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)[O-])C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1CN(CC2CCC(CC2)C(=O)[O-])C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C24H30N2O2S/c1-17-7-3-5-9-21(17)16-26(15-19-11-13-20(14-12-19)23(27)28)24(29)25-22-10-6-4-8-18(22)2/h3-10,19-20H,11-16H2,1-2H3,(H,25,29)(H,27,28)/p-1