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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-bromanyl-4-ethoxy-benzamide Openeye Name: 3-bromo-4-ethoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-bromo-4-ethoxybenzamide Traditional Name: 3-bromo-4-ethoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C17H22BrN3O2S MolecularWeight: 412.34448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O2S/c1-2-23-15-4-3-12(9-13(15)18)16(22)20-17(24)19-14-10-21-7-5-11(14)6-8-21/h3-4,9,11,14H,2,5-8,10H2,1H3,(H2,19,20,22,24)