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

Systemtic Name: 5-(2-chlorophenyl)-N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(2-chlorophenyl)-N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(2-chlorophenyl)-N-[[(4,6-diethoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2-chlorophenyl)-N-[(4,6-diethoxypyrimidin-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(2-chlorophenyl)-N-[(4,6-diethoxypyrimidin-2-yl)thiocarbamoyl]-2-furamide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl)OCC

Isomeric SMILES

CCOC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3Cl)OCC

InChI

InChI=1S/C20H19ClN4O4S/c1-3-27-16-11-17(28-4-2)23-19(22-16)25-20(30)24-18(26)15-10-9-14(29-15)12-7-5-6-8-13(12)21/h5-11H,3-4H2,1-2H3,(H2,22,23,24,25,26,30)