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

Systemtic Name: N-(4-chloranyl-2-fluoranyl-phenyl)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-chloro-2-fluoro-phenyl)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-chloro-2-fluorophenyl)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-chloro-2-fluoro-phenyl)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H20Cl2FN3O2S MolecularWeight: 468.371803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H20Cl2FN3O2S/c1-12(2)7-8-27-20(29)15-5-3-14(23)10-18(15)26-21(27)30-11-19(28)25-17-6-4-13(22)9-16(17)24/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,25,28)