2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-13(2)11-23-19(26)16-5-3-4-6-17(16)22-20(23)29-12-18(25)21-14-7-9-15(10-8-14)24(27)28/h3-10,13H,11-12H2,1-2H3,(H,21,25)