N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F)OC1

InChI

InChI=1S/C20H16F3N3O3S/c21-20(22,23)19-25-14-5-2-1-4-13(14)18(26-19)30-11-17(27)24-12-6-7-15-16(10-12)29-9-3-8-28-15/h1-2,4-7,10H,3,8-9,11H2,(H,24,27)