N-(5-chloranyl-2-cyano-phenyl)-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-cyano-phenyl)-2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C22H21ClN4O3S/c1-2-30-11-5-10-27-21(29)17-6-3-4-7-18(17)26-22(27)31-14-20(28)25-19-12-16(23)9-8-15(19)13-24/h3-4,6-9,12H,2,5,10-11,14H2,1H3,(H,25,28)