N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3,4-dimethoxy-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3,4-dimethoxy-benzamide Openeye Name: 3,4-dimethoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3,4-dimethoxybenzamide Traditional Name: 3,4-dimethoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-22-14-4-3-12(9-15(14)23-2)16(21)19-17(24)18-13-10-20-7-5-11(13)6-8-20/h3-4,9,11,13H,5-8,10H2,1-2H3,(H2,18,19,21,24)