N-(3-chloranyl-4-cyano-phenyl)-2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[7-chloranyl-3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[7-chloro-3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[[7-chloro-3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[7-chloro-3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[[7-chloro-3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H20Cl2N4O3S MolecularWeight: 491.3902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2N4O3S/c1-2-31-9-3-8-28-21(30)17-7-5-15(23)10-19(17)27-22(28)32-13-20(29)26-16-6-4-14(12-25)18(24)11-16/h4-7,10-11H,2-3,8-9,13H2,1H3,(H,26,29)