4-[[(3,5-dimethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[(3,5-dimethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(3,5-dimethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(3,5-dimethylanilino)-sulfanylidenemethyl]-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(3,5-dimethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(3,5-dimethylphenyl)thiocarbamoyl-p-anisyl-amino]methyl]cyclohexanecarboxylate Formula: C25H31N2O3S- MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O3S/c1-17-12-18(2)14-22(13-17)26-25(31)27(16-20-6-10-23(30-3)11-7-20)15-19-4-8-21(9-5-19)24(28)29/h6-7,10-14,19,21H,4-5,8-9,15-16H2,1-3H3,(H,26,31)(H,28,29)/p-1