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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-ethoxy-benzamide Openeye Name: 3-ethoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-ethoxybenzamide Traditional Name: 3-ethoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

InChI

InChI=1S/C17H23N3O2S/c1-2-22-14-5-3-4-13(10-14)16(21)19-17(23)18-15-11-20-8-6-12(15)7-9-20/h3-5,10,12,15H,2,6-9,11H2,1H3,(H2,18,19,21,23)