4-[[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3-chloro-4-methyl-phenyl)carbamothioyl-(o-tolylmethyl)amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-[(2-methylphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3-chloro-4-methylphenyl)carbamothioyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-chloro-4-methyl-phenyl)thiocarbamoyl-(2-methylbenzyl)amino]methyl]cyclohexanecarboxylate Formula: C24H28ClN2O2S- MolecularWeight: 444.00932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O2S/c1-16-5-3-4-6-20(16)15-27(14-18-8-10-19(11-9-18)23(28)29)24(30)26-21-12-7-17(2)22(25)13-21/h3-7,12-13,18-19H,8-11,14-15H2,1-2H3,(H,26,30)(H,28,29)/p-1