N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3,5-dimethoxy-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3,5-dimethoxy-benzamide Openeye Name: 3,5-dimethoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3,5-dimethoxybenzamide Traditional Name: 3,5-dimethoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-22-13-7-12(8-14(9-13)23-2)16(21)19-17(24)18-15-10-20-5-3-11(15)4-6-20/h7-9,11,15H,3-6,10H2,1-2H3,(H2,18,19,21,24)