methyl 3-[[cyclohexyl(cyclopropylcarbamothioyl)amino]methyl]-4-methoxy-benzoate

Systemtic Name: methyl 3-[[cyclohexyl(cyclopropylcarbamothioyl)amino]methyl]-4-methoxy-benzoate Openeye Name: methyl 3-[[cyclohexyl(cyclopropylcarbamothioyl)amino]methyl]-4-methoxy-benzoate CAS Name: 3-[[cyclohexyl-[(cyclopropylamino)-sulfanylidenemethyl]amino]methyl]-4-methoxybenzoic acid methyl ester IUPAC Name: methyl 3-[[cyclohexyl(cyclopropylcarbamothioyl)amino]methyl]-4-methoxybenzoate Traditional Name: 3-[[cyclohexyl(cyclopropylthiocarbamoyl)amino]methyl]-4-methoxy-benzoic acid methyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)CN(C2CCCCC2)C(=S)NC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)CN(C2CCCCC2)C(=S)NC3CC3

InChI

InChI=1S/C20H28N2O3S/c1-24-18-11-8-14(19(23)25-2)12-15(18)13-22(17-6-4-3-5-7-17)20(26)21-16-9-10-16/h8,11-12,16-17H,3-7,9-10,13H2,1-2H3,(H,21,26)