N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-propan-2-yloxy-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2CN3CCC2CC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2CN3CCC2CC3

InChI

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