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

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C24H25FN4O2S MolecularWeight: 452.544303

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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=C3F

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C24H25FN4O2S/c1-17(2)12-15-29-23(31)18-8-3-5-10-20(18)27-24(29)32-16-22(30)28(14-7-13-26)21-11-6-4-9-19(21)25/h3-6,8-11,17H,7,12,14-16H2,1-2H3