N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-methyl-butanamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-methyl-butanamide Openeye Name: 3-methyl-N-(quinuclidin-3-ylcarbamothioyl)butanamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-methylbutanamide Traditional Name: 3-methyl-N-(quinuclidin-3-ylthiocarbamoyl)butyramide Formula: C13H23N3OS MolecularWeight: 269.40622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1CN2CCC1CC2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1CN2CCC1CC2

InChI

InChI=1S/C13H23N3OS/c1-9(2)7-12(17)15-13(18)14-11-8-16-5-3-10(11)4-6-16/h9-11H,3-8H2,1-2H3,(H2,14,15,17,18)