N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-2-chloranyl-4-methyl-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-2-chloranyl-4-methyl-benzamide Openeye Name: 2-chloro-4-methyl-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-2-chloro-4-methylbenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-2-chloro-4-methylbenzamide Traditional Name: 2-chloro-4-methyl-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C16H20ClN3OS MolecularWeight: 337.8675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3OS/c1-10-2-3-12(13(17)8-10)15(21)19-16(22)18-14-9-20-6-4-11(14)5-7-20/h2-3,8,11,14H,4-7,9H2,1H3,(H2,18,19,21,22)