N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-fluorophenyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C22H21FN4O2S/c1-15(2)27-21(29)16-8-3-5-10-18(16)25-22(27)30-14-20(28)26(13-7-12-24)19-11-6-4-9-17(19)23/h3-6,8-11,15H,7,13-14H2,1-2H3