2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C22H24N4O4S/c1-14(2)11-12-25-21(28)16-8-4-5-9-17(16)23-22(25)31-13-19(27)24-20-15(3)7-6-10-18(20)26(29)30/h4-10,14H,11-13H2,1-3H3,(H,24,27)