2-[2-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methylsulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[5-[(4-methylpiperazin-1-yl)methyl]-2-furyl]methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[5-[(4-methyl-1-piperazinyl)methyl]-2-furanyl]methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[5-[(4-methylpiperazino)methyl]-2-furyl]methylthio]ethyl]isoindoline-1,3-quinone Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(O2)CSCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(O2)CSCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H25N3O3S/c1-22-8-10-23(11-9-22)14-16-6-7-17(27-16)15-28-13-12-24-20(25)18-4-2-3-5-19(18)21(24)26/h2-7H,8-15H2,1H3