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

Systemtic Name: N-(cyanomethyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O2S/c1-2-13-25-20(27)17-10-6-7-11-18(17)23-21(25)28-15-19(26)24(14-12-22)16-8-4-3-5-9-16/h2-11H,1,13-15H2