N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-phenyl-prop-2-enamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-phenyl-prop-2-enamide Openeye Name: 3-phenyl-N-(quinuclidin-3-ylcarbamothioyl)prop-2-enamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-3-phenylprop-2-enamide Traditional Name: 3-phenyl-N-(quinuclidin-3-ylthiocarbamoyl)acrylamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3OS/c21-16(7-6-13-4-2-1-3-5-13)19-17(22)18-15-12-20-10-8-14(15)9-11-20/h1-7,14-15H,8-12H2,(H2,18,19,21,22)