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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 1-(4-methylpiperidino)-2-[[4-(piperonylamino)quinazolin-2-yl]thio]ethanone Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O3S/c1-16-8-10-28(11-9-16)22(29)14-32-24-26-19-5-3-2-4-18(19)23(27-24)25-13-17-6-7-20-21(12-17)31-15-30-20/h2-7,12,16H,8-11,13-15H2,1H3,(H,25,26,27)