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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-bromanyl-4-methoxy-benzamide Openeye Name: 3-bromo-4-methoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-bromo-4-methoxybenzamide Traditional Name: 3-bromo-4-methoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C16H20BrN3O2S MolecularWeight: 398.3179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O2S/c1-22-14-3-2-11(8-12(14)17)15(21)19-16(23)18-13-9-20-6-4-10(13)5-7-20/h2-3,8,10,13H,4-7,9H2,1H3,(H2,18,19,21,23)