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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O2S/c1-2-3-15-27-22(29)19-12-7-8-13-20(19)25-23(27)30-17-21(28)26(16-9-14-24)18-10-5-4-6-11-18/h4-8,10-13H,2-3,9,15-17H2,1H3