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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C20H18Cl2FN3O2S MolecularWeight: 454.345223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H18Cl2FN3O2S/c1-11(2)9-26-19(28)14-5-3-12(21)7-17(14)25-20(26)29-10-18(27)24-13-4-6-16(23)15(22)8-13/h3-8,11H,9-10H2,1-2H3,(H,24,27)