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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-butoxy-benzamide Openeye Name: 4-butoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-butoxybenzamide Traditional Name: 4-butoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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