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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H20ClFN4O3S MolecularWeight: 462.924903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H20ClFN4O3S/c1-21(2,3)26-19(30)25-17(28)11-31-20-24-16-7-5-4-6-13(16)18(29)27(20)12-8-9-15(23)14(22)10-12/h4-10H,11H2,1-3H3,(H2,25,26,28,30)