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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-piperonyl-acetamide Formula: C24H18FN3O4S MolecularWeight: 463.480823

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C24H18FN3O4S/c25-16-6-8-17(9-7-16)28-23(30)18-3-1-2-4-19(18)27-24(28)33-13-22(29)26-12-15-5-10-20-21(11-15)32-14-31-20/h1-11H,12-14H2,(H,26,29)