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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O

InChI

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