[2-(methylcarbamothioyl)-6-(methylcarbamoyl)-2-pyridin-3-yl-cyclohexyl] propanoate

Systemtic Name: [2-(methylcarbamothioyl)-6-(methylcarbamoyl)-2-pyridin-3-yl-cyclohexyl] propanoate Openeye Name: [2-(methylcarbamothioyl)-6-(methylcarbamoyl)-2-(3-pyridyl)cyclohexyl] propanoate CAS Name: propanoic acid [2-[methylamino(sulfanylidene)methyl]-6-(methylcarbamoyl)-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [2-(methylcarbamothioyl)-6-(methylcarbamoyl)-2-pyridin-3-ylcyclohexyl] propanoate Traditional Name: propionic acid [6-(methylcarbamoyl)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C18H25N3O3S MolecularWeight: 363.4744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1C(CCCC1(C2=CN=CC=C2)C(=S)NC)C(=O)NC

Isomeric SMILES

CCC(=O)OC1C(CCCC1(C2=CN=CC=C2)C(=S)NC)C(=O)NC

InChI

InChI=1S/C18H25N3O3S/c1-4-14(22)24-15-13(16(23)19-2)8-5-9-18(15,17(25)20-3)12-7-6-10-21-11-12/h6-7,10-11,13,15H,4-5,8-9H2,1-3H3,(H,19,23)(H,20,25)