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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-piperonyl-acetamide Formula: C24H17ClFN3O4S MolecularWeight: 497.925883

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H17ClFN3O4S/c25-17-10-15(6-7-18(17)26)29-23(31)16-3-1-2-4-19(16)28-24(29)34-12-22(30)27-11-14-5-8-20-21(9-14)33-13-32-20/h1-10H,11-13H2,(H,27,30)