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

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-2-yl-ethanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-methylbutyl)acetamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-pentan-2-ylacetamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-2-ylacetamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-methylbutyl)acetamide Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN3O2S/c1-3-6-13(2)24-19(27)12-29-21-25-18-8-5-4-7-15(18)20(28)26(21)14-9-10-17(23)16(22)11-14/h4-5,7-11,13H,3,6,12H2,1-2H3,(H,24,27)