N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-1-benzofuran-2-carboxamide Openeye Name: N-(quinuclidin-3-ylcarbamothioyl)benzofuran-2-carboxamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-1-benzofuran-2-carboxamide Traditional Name: N-(quinuclidin-3-ylthiocarbamoyl)coumarilamide Formula: C17H19N3O2S MolecularWeight: 329.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C17H19N3O2S/c21-16(15-9-12-3-1-2-4-14(12)22-15)19-17(23)18-13-10-20-7-5-11(13)6-8-20/h1-4,9,11,13H,5-8,10H2,(H2,18,19,21,23)