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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-ethoxy-3-nitro-benzamide Openeye Name: 4-ethoxy-3-nitro-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-ethoxy-3-nitrobenzamide Traditional Name: 4-ethoxy-3-nitro-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2CN3CCC2CC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2CN3CCC2CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4S/c1-2-25-15-4-3-12(9-14(15)21(23)24)16(22)19-17(26)18-13-10-20-7-5-11(13)6-8-20/h3-4,9,11,13H,2,5-8,10H2,1H3,(H2,18,19,22,26)