N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-(2-furanyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-(2-furyl)quinazolin-4-yl]thio]acetamide Formula: C22H16BrN3O4S MolecularWeight: 498.34914

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C22H16BrN3O4S/c23-14-10-18-19(30-9-8-29-18)11-16(14)24-20(27)12-31-22-13-4-1-2-5-15(13)25-21(26-22)17-6-3-7-28-17/h1-7,10-11H,8-9,12H2,(H,24,27)