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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-propoxy-benzamide Openeye Name: 3-propoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-propoxybenzamide Traditional Name: 3-propoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

InChI

InChI=1S/C18H25N3O2S/c1-2-10-23-15-5-3-4-14(11-15)17(22)20-18(24)19-16-12-21-8-6-13(16)7-9-21/h3-5,11,13,16H,2,6-10,12H2,1H3,(H2,19,20,22,24)