N-[2,5-bis(fluoranyl)phenyl]-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,5-difluorophenyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(2,5-difluorophenyl)acetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-difluorophenyl)acetamide Traditional Name: N-(2,5-difluorophenyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetamide Formula: C20H19F2N3O2S MolecularWeight: 403.445566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F2N3O2S/c1-3-12(2)25-19(27)14-6-4-5-7-16(14)24-20(25)28-11-18(26)23-17-10-13(21)8-9-15(17)22/h4-10,12H,3,11H2,1-2H3,(H,23,26)