2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C20H19ClFN3O2S MolecularWeight: 419.900163

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H19ClFN3O2S/c1-3-12(2)25-19(27)14-6-4-5-7-17(14)24-20(25)28-11-18(26)23-13-8-9-16(22)15(21)10-13/h4-10,12H,3,11H2,1-2H3,(H,23,26)