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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[4-(cyanomethyl)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)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)CC#N

InChI

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