5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)pentanamide

Systemtic Name: 5-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)pentanamide Openeye Name: 5-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isopentyl-pentanamide CAS Name: 5-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methylbutyl)pentanamide IUPAC Name: 5-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutyl)pentanamide Traditional Name: 5-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-isoamyl-valeramide Formula: C24H28ClN3O2S MolecularWeight: 458.01602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)CCNC(=O)CCCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H28ClN3O2S/c1-17(2)13-14-26-22(29)12-5-6-15-31-24-27-21-11-4-3-10-20(21)23(30)28(24)19-9-7-8-18(25)16-19/h3-4,7-11,16-17H,5-6,12-15H2,1-2H3,(H,26,29)