2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-chloranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-chloranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(4-chloro-3-nitrophenyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C21H20Cl2N4O4S MolecularWeight: 495.3789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H20Cl2N4O4S/c1-12(2)7-8-26-20(29)15-5-3-13(22)9-17(15)25-21(26)32-11-19(28)24-14-4-6-16(23)18(10-14)27(30)31/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,24,28)