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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-bromophenyl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-bromophenyl)ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]-1-(4-bromophenyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-bromophenyl)ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-(piperonylamino)quinazolin-2-yl]thio]ethanone Formula: C24H18BrN3O3S MolecularWeight: 508.38702

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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=C(C=C5)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H18BrN3O3S/c25-17-8-6-16(7-9-17)20(29)13-32-24-27-19-4-2-1-3-18(19)23(28-24)26-12-15-5-10-21-22(11-15)31-14-30-21/h1-11H,12-14H2,(H,26,27,28)