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

Systemtic Name: 4-[[(4-methoxyphenyl)methyl-[(2-methylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(4-methoxyphenyl)methyl-(o-tolylcarbamothioyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-methoxyphenyl)methyl-[(2-methylanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(4-methoxyphenyl)methyl-[(2-methylphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[o-tolylthiocarbamoyl(p-anisyl)amino]methyl]cyclohexanecarboxylate Formula: C24H29N2O3S- MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H30N2O3S/c1-17-5-3-4-6-22(17)25-24(30)26(16-19-9-13-21(29-2)14-10-19)15-18-7-11-20(12-8-18)23(27)28/h3-6,9-10,13-14,18,20H,7-8,11-12,15-16H2,1-2H3,(H,25,30)(H,27,28)/p-1