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

Systemtic Name: 1-[3-[[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[[4-(piperonylamino)quinazolin-2-yl]thio]methyl]phenyl]ethanone Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23N3O4S/c1-16(30)18-8-10-22(31-2)19(12-18)14-34-26-28-21-6-4-3-5-20(21)25(29-26)27-13-17-7-9-23-24(11-17)33-15-32-23/h3-12H,13-15H2,1-2H3,(H,27,28,29)