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

Systemtic Name: N-(cyanomethyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-29-15-7-13-26-21(28)18-10-5-6-11-19(18)24-22(26)30-16-20(27)25(14-12-23)17-8-3-2-4-9-17/h2-6,8-11H,7,13-16H2,1H3