N-(1,3-benzodioxol-5-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-furanyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-furyl)quinazolin-4-yl]thio]acetamide Formula: C21H15N3O4S MolecularWeight: 405.4265

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C21H15N3O4S/c25-19(22-13-7-8-16-18(10-13)28-12-27-16)11-29-21-14-4-1-2-5-15(14)23-20(24-21)17-6-3-9-26-17/h1-10H,11-12H2,(H,22,25)