N-(2-cyanoethyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-phenyl-acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H28N4O2S/c1-2-3-4-10-17-29-24(31)21-14-8-9-15-22(21)27-25(29)32-19-23(30)28(18-11-16-26)20-12-6-5-7-13-20/h5-9,12-15H,2-4,10-11,17-19H2,1H3