N-[(2-methylquinolin-5-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(2-methyl-5-quinolyl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(2-methyl-5-quinolinyl)amino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(2-methylquinolin-5-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(2-methyl-5-quinolyl)thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c1-13-9-10-14-16(23-13)6-4-7-17(14)24-22(31)25-21(27)20-12-11-19(30-20)15-5-2-3-8-18(15)26(28)29/h2-12H,1H3,(H2,24,25,27,31)