2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

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