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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-butoxy-benzamide Openeye Name: 3-butoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-butoxybenzamide Traditional Name: 3-butoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

InChI

InChI=1S/C19H27N3O2S/c1-2-3-11-24-16-6-4-5-15(12-16)18(23)21-19(25)20-17-13-22-9-7-14(17)8-10-22/h4-6,12,14,17H,2-3,7-11,13H2,1H3,(H2,20,21,23,25)