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

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetamide Formula: C18H13F2N3O4S MolecularWeight: 405.375326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C18H13F2N3O4S/c1-23-16(25)11-4-2-3-5-12(11)22-17(23)28-9-15(24)21-10-6-7-13-14(8-10)27-18(19,20)26-13/h2-8H,9H2,1H3,(H,21,24)