5-(3-nitrophenyl)-N-(quinolin-8-ylcarbamothioyl)furan-2-carboxamide

Systemtic Name: 5-(3-nitrophenyl)-N-(quinolin-8-ylcarbamothioyl)furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-(8-quinolylcarbamothioyl)furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[(8-quinolinylamino)-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-(quinolin-8-ylcarbamothioyl)furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-(8-quinolylthiocarbamoyl)-2-furamide Formula: C21H14N4O4S MolecularWeight: 418.42526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=S)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C21H14N4O4S/c26-20(18-10-9-17(29-18)14-5-1-7-15(12-14)25(27)28)24-21(30)23-16-8-2-4-13-6-3-11-22-19(13)16/h1-12H,(H2,23,24,26,30)