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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-methoxy-benzamide Openeye Name: 4-methoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-methoxybenzamide Traditional Name: 4-methoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-21-13-4-2-12(3-5-13)15(20)18-16(22)17-14-10-19-8-6-11(14)7-9-19/h2-5,11,14H,6-10H2,1H3,(H2,17,18,20,22)