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

Systemtic Name: 4-[[(2-chlorophenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(2-chlorophenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2-chloroanilino)-sulfanylidenemethyl]-[(4-chlorophenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(2-chlorophenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-chlorobenzyl)-[(2-chlorophenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylate Formula: C22H23Cl2N2O2S- MolecularWeight: 450.40122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN(CC2=CC=C(C=C2)Cl)C(=S)NC3=CC=CC=C3Cl)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CN(CC2=CC=C(C=C2)Cl)C(=S)NC3=CC=CC=C3Cl)C(=O)[O-]

InChI

InChI=1S/C22H24Cl2N2O2S/c23-18-11-7-16(8-12-18)14-26(13-15-5-9-17(10-6-15)21(27)28)22(29)25-20-4-2-1-3-19(20)24/h1-4,7-8,11-12,15,17H,5-6,9-10,13-14H2,(H,25,29)(H,27,28)/p-1