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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC=CC4=C3C=CC=N4

InChI

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