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

Systemtic Name: 4-[[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3-chloro-4-methyl-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-[(4-chlorophenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3-chloro-4-methylphenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-chlorobenzyl)-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylate Formula: C23H25Cl2N2O2S- MolecularWeight: 464.4278

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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=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H26Cl2N2O2S/c1-15-2-11-20(12-21(15)25)26-23(30)27(14-17-5-9-19(24)10-6-17)13-16-3-7-18(8-4-16)22(28)29/h2,5-6,9-12,16,18H,3-4,7-8,13-14H2,1H3,(H,26,30)(H,28,29)/p-1