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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetamide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H22N4O3S2/c1-29-13-6-12-26-21(28)16-7-2-3-8-17(16)25-22(26)31-15-20(27)24-18-9-4-5-10-19(18)30-14-11-23/h2-5,7-10H,6,12-15H2,1H3,(H,24,27)