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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-furanyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: 2-[[2-(2-furyl)quinazolin-4-yl]thio]-N-piperonyl-propionamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C23H19N3O4S/c1-14(22(27)24-12-15-8-9-18-20(11-15)30-13-29-18)31-23-16-5-2-3-6-17(16)25-21(26-23)19-7-4-10-28-19/h2-11,14H,12-13H2,1H3,(H,24,27)