N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-(quinuclidin-3-ylcarbamothioyl)furan-2-carboxamide CAS Name: N-[(1-azabicyclo[2.2.2]octan-3-ylamino)-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-(quinuclidin-3-ylthiocarbamoyl)-2-furamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN2CCC1C(C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c24-18(21-19(28)20-15-11-22-8-6-12(15)7-9-22)17-5-4-16(27-17)13-2-1-3-14(10-13)23(25)26/h1-5,10,12,15H,6-9,11H2,(H2,20,21,24,28)