2-[3-[4-(3-methylsulfanylphenyl)piperazin-1-yl]propoxy]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(3-methylsulfanylphenyl)piperazin-1-yl]propoxy]isoindole-1,3-dione Openeye Name: 2-[3-[4-(3-methylsulfanylphenyl)piperazin-1-yl]propoxy]isoindoline-1,3-dione CAS Name: 2-[3-[4-[3-(methylthio)phenyl]-1-piperazinyl]propoxy]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(3-methylsulfanylphenyl)piperazin-1-yl]propoxy]isoindole-1,3-dione Traditional Name: 2-[3-[4-[3-(methylthio)phenyl]piperazino]propoxy]isoindoline-1,3-quinone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CCN(CC2)CCCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSC1=CC=CC(=C1)N2CCN(CC2)CCCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O3S/c1-29-18-7-4-6-17(16-18)24-13-11-23(12-14-24)10-5-15-28-25-21(26)19-8-2-3-9-20(19)22(25)27/h2-4,6-9,16H,5,10-15H2,1H3