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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-furanyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-furyl)quinazolin-4-yl]thio]propionamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C22H17N3O4S/c1-13(21(26)23-14-8-9-17-19(11-14)29-12-28-17)30-22-15-5-2-3-6-16(15)24-20(25-22)18-7-4-10-27-18/h2-11,13H,12H2,1H3,(H,23,26)