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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-ethoxy-benzamide Openeye Name: 4-ethoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-ethoxybenzamide Traditional Name: 4-ethoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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