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

Systemtic Name: N-(2-cyanoethyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-phenyl-acetamide Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H26N4O2S/c1-18(2)13-16-28-23(30)20-11-6-7-12-21(20)26-24(28)31-17-22(29)27(15-8-14-25)19-9-4-3-5-10-19/h3-7,9-12,18H,8,13,15-17H2,1-2H3