N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-methoxy-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-methoxy-benzamide Openeye Name: 3-methoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-methoxybenzamide Traditional Name: 3-methoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

InChI

InChI=1S/C16H21N3O2S/c1-21-13-4-2-3-12(9-13)15(20)18-16(22)17-14-10-19-7-5-11(14)6-8-19/h2-4,9,11,14H,5-8,10H2,1H3,(H2,17,18,20,22)