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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H22N4O2S2/c1-2-3-13-26-21(28)16-8-4-5-9-17(16)25-22(26)30-15-20(27)24-18-10-6-7-11-19(18)29-14-12-23/h4-11H,2-3,13-15H2,1H3,(H,24,27)