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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-methyl-benzamide Openeye Name: 3-methyl-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-methylbenzamide Traditional Name: 3-methyl-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2CN3CCC2CC3

InChI

InChI=1S/C16H21N3OS/c1-11-3-2-4-13(9-11)15(20)18-16(21)17-14-10-19-7-5-12(14)6-8-19/h2-4,9,12,14H,5-8,10H2,1H3,(H2,17,18,20,21)