N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)NC1=S

InChI

InChI=1S/C21H22N4O6S/c1-4-24-20(27)14-6-5-13(9-15(14)23-21(24)32)19(26)22-8-7-12-10-17(30-2)18(31-3)11-16(12)25(28)29/h5-6,9-11H,4,7-8H2,1-3H3,(H,22,26)(H,23,32)