2-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[4-methylsulfanyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]isoindole-1,3-dione Openeye Name: 2-[3-methylsulfanyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]propyl]isoindoline-1,3-dione CAS Name: 2-[4-(methylthio)-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]butan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[4-methylsulfanyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]isoindole-1,3-dione Traditional Name: 2-[3-(methylthio)-1-[4-(2-pyridyl)piperazine-1-carbonyl]propyl]isoindoline-1,3-quinone Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O3S/c1-30-15-9-18(26-20(27)16-6-2-3-7-17(16)21(26)28)22(29)25-13-11-24(12-14-25)19-8-4-5-10-23-19/h2-8,10,18H,9,11-15H2,1H3