[2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2,3-dimethoxybenzoate

Systemtic Name: [2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2,3-dimethoxybenzoate Openeye Name: [2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic acid [2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)C2=C(C(=CC=C2)OC)OC)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)C1(CCCCC1OC(=O)C2=C(C(=CC=C2)OC)OC)C3=CN=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-23-21(29)22(15-8-7-13-24-14-15)12-5-4-11-18(22)28-20(25)16-9-6-10-17(26-2)19(16)27-3/h6-10,13-14,18H,4-5,11-12H2,1-3H3,(H,23,29)