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

Systemtic Name: 4-[[(2-ethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[(2-ethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2-ethylanilino)-sulfanylidenemethyl]-[(4-methoxyphenyl)methyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[(2-ethylphenyl)carbamothioyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[(2-ethylphenyl)thiocarbamoyl-p-anisyl-amino]methyl]cyclohexanecarboxylate Formula: C25H31N2O3S- MolecularWeight: 439.59024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2CCC(CC2)C(=O)[O-])CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H32N2O3S/c1-3-20-6-4-5-7-23(20)26-25(31)27(17-19-10-14-22(30-2)15-11-19)16-18-8-12-21(13-9-18)24(28)29/h4-7,10-11,14-15,18,21H,3,8-9,12-13,16-17H2,1-2H3,(H,26,31)(H,28,29)/p-1