N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H20N4O2S2/c1-2-12-25-20(27)15-7-3-4-8-16(15)24-21(25)29-14-19(26)23-17-9-5-6-10-18(17)28-13-11-22/h3-10H,2,12-14H2,1H3,(H,23,26)