2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 1-phenyl-2-[[4-(piperonylamino)quinazolin-2-yl]thio]ethanone Formula: C24H19N3O3S MolecularWeight: 429.49096

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H19N3O3S/c28-20(17-6-2-1-3-7-17)14-31-24-26-19-9-5-4-8-18(19)23(27-24)25-13-16-10-11-21-22(12-16)30-15-29-21/h1-12H,13-15H2,(H,25,26,27)