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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

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