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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-bromanyl-benzamide Openeye Name: 4-bromo-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-4-bromobenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-bromobenzamide Traditional Name: 4-bromo-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C15H18BrN3OS MolecularWeight: 368.29192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H18BrN3OS/c16-12-3-1-11(2-4-12)14(20)18-15(21)17-13-9-19-7-5-10(13)6-8-19/h1-4,10,13H,5-9H2,(H2,17,18,20,21)