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

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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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)CC#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C23H23ClN4O2S/c1-15(2)10-12-28-22(30)19-8-5-17(24)13-20(19)27-23(28)31-14-21(29)26-18-6-3-16(4-7-18)9-11-25/h3-8,13,15H,9-10,12,14H2,1-2H3,(H,26,29)