N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-ethyl-benzamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-ethyl-benzamide Openeye Name: 4-ethyl-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-ethylbenzamide Traditional Name: 4-ethyl-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2CN3CCC2CC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2CN3CCC2CC3

InChI

InChI=1S/C17H23N3OS/c1-2-12-3-5-14(6-4-12)16(21)19-17(22)18-15-11-20-9-7-13(15)8-10-20/h3-6,13,15H,2,7-11H2,1H3,(H2,18,19,21,22)