N-(2-methyl-5-nitro-phenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N4O4S/c1-3-10-23-19(26)15-6-4-5-7-16(15)22-20(23)29-12-18(25)21-17-11-14(24(27)28)9-8-13(17)2/h4-9,11H,3,10,12H2,1-2H3,(H,21,25)