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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2S/c1-2-3-14-26-21(28)18-11-7-8-12-19(18)24-22(26)29-16-20(27)25(15-13-23)17-9-5-4-6-10-17/h4-12H,2-3,14-16H2,1H3