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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-iodanyl-benzamide Openeye Name: 3-iodo-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-iodobenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-iodobenzamide Traditional Name: 3-iodo-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C15H18IN3OS MolecularWeight: 415.29239

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C15H18IN3OS/c16-12-3-1-2-11(8-12)14(20)18-15(21)17-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H2,17,18,20,21)