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

Systemtic Name: 4-[[(4-chlorophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(4-chlorophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[(4-chlorophenyl)methyl-[(2-methoxyanilino)-sulfanylidenemethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(4-chlorophenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(4-chlorobenzyl)-[(2-methoxyphenyl)thiocarbamoyl]amino]methyl]cyclohexanecarboxylate Formula: C23H26ClN2O3S- MolecularWeight: 445.98214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O3S/c1-29-21-5-3-2-4-20(21)25-23(30)26(15-17-8-12-19(24)13-9-17)14-16-6-10-18(11-7-16)22(27)28/h2-5,8-9,12-13,16,18H,6-7,10-11,14-15H2,1H3,(H,25,30)(H,27,28)/p-1