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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C25H30ClN3O2S MolecularWeight: 472.0426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(C)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(C)CCC3=CC=CC=C3

InChI

InChI=1S/C25H30ClN3O2S/c1-17(2)13-14-29-24(31)21-12-11-20(26)15-22(21)28-25(29)32-16-23(30)27-18(3)9-10-19-7-5-4-6-8-19/h4-8,11-12,15,17-18H,9-10,13-14,16H2,1-3H3,(H,27,30)