N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide CAS Name: N-[[(4,6-diethoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]-5-(4-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]-5-(4-nitrophenyl)furan-2-carboxamide Traditional Name: N-[(4,6-diethoxypyrimidin-2-yl)thiocarbamoyl]-5-(4-nitrophenyl)-2-furamide Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H19N5O6S/c1-3-29-16-11-17(30-4-2)22-19(21-16)24-20(32)23-18(26)15-10-9-14(31-15)12-5-7-13(8-6-12)25(27)28/h5-11H,3-4H2,1-2H3,(H2,21,22,23,24,26,32)