N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-2-phenoxy-ethanamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-2-phenoxy-ethanamide Openeye Name: 2-phenoxy-N-(quinuclidin-3-ylcarbamothioyl)acetamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-2-phenoxyacetamide Traditional Name: 2-phenoxy-N-(quinuclidin-3-ylthiocarbamoyl)acetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C16H21N3O2S/c20-15(11-21-13-4-2-1-3-5-13)18-16(22)17-14-10-19-8-6-12(14)7-9-19/h1-5,12,14H,6-11H2,(H2,17,18,20,22)