1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylquinazolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylquinazolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylquinazolin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(4-methyl-2-quinazolinyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylquinazolin-2-yl)sulfanylethanone Traditional Name: 2-[(4-methylquinazolin-2-yl)thio]-1-(4-piperonylpiperazino)ethanone Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=NC2=CC=CC=C12)SCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O3S/c1-16-18-4-2-3-5-19(18)25-23(24-16)31-14-22(28)27-10-8-26(9-11-27)13-17-6-7-20-21(12-17)30-15-29-20/h2-7,12H,8-11,13-15H2,1H3