3-ethyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-methyl-N-[1-(3-nitrophenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-4-23-19(26)16-9-8-14(11-17(16)21-20(23)29)18(25)22(3)12(2)13-6-5-7-15(10-13)24(27)28/h5-12H,4H2,1-3H3,(H,21,29)