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

Systemtic Name: 4-[[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3-chloro-4-methyl-phenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3-chloro-4-methylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3-chloro-4-methyl-phenyl)thiocarbamoyl-p-anisyl-amino]methyl]cyclohexanecarboxylate Formula: C24H28ClN2O3S- MolecularWeight: 460.00872

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O3S/c1-16-3-10-20(13-22(16)25)26-24(31)27(15-18-6-11-21(30-2)12-7-18)14-17-4-8-19(9-5-17)23(28)29/h3,6-7,10-13,17,19H,4-5,8-9,14-15H2,1-2H3,(H,26,31)(H,28,29)/p-1