N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide Formula: C21H19F2N3O4S MolecularWeight: 447.455066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C21H19F2N3O4S/c1-2-3-10-26-19(28)14-6-4-5-7-15(14)25-20(26)31-12-18(27)24-13-8-9-16-17(11-13)30-21(22,23)29-16/h4-9,11H,2-3,10,12H2,1H3,(H,24,27)