2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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