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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(4-fluorobenzyl)-4-keto-quinazolin-2-yl]thio]-N-piperonyl-acetamide Formula: C25H20FN3O4S MolecularWeight: 477.507403

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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)N3CC5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F

InChI

InChI=1S/C25H20FN3O4S/c26-18-8-5-16(6-9-18)13-29-24(31)19-3-1-2-4-20(19)28-25(29)34-14-23(30)27-12-17-7-10-21-22(11-17)33-15-32-21/h1-11H,12-15H2,(H,27,30)