2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C22H18N4O6S MolecularWeight: 466.46652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H18N4O6S/c1-31-19-11-14(26(29)30)8-9-18(19)23-20(27)13-33-22-24-17-7-3-2-6-16(17)21(28)25(22)12-15-5-4-10-32-15/h2-11H,12-13H2,1H3,(H,23,27)