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

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-methoxy-3-nitro-benzamide Openeye Name: 4-methoxy-3-nitro-N-(quinuclidin-3-ylcarbamothioyl)benzamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-4-methoxy-3-nitrobenzamide Traditional Name: 4-methoxy-3-nitro-N-(quinuclidin-3-ylthiocarbamoyl)benzamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2CN3CCC2CC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2CN3CCC2CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S/c1-24-14-3-2-11(8-13(14)20(22)23)15(21)18-16(25)17-12-9-19-6-4-10(12)5-7-19/h2-3,8,10,12H,4-7,9H2,1H3,(H2,17,18,21,25)