2-[[2-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-methyl-3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-methyl-3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)sulfanylphenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-[(2-keto-2-piperidino-ethyl)thio]-2-methyl-benzyl]isoindoline-1,3-quinone Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1SCC(=O)N2CCCCC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=CC=C1SCC(=O)N2CCCCC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H24N2O3S/c1-16-17(14-25-22(27)18-9-3-4-10-19(18)23(25)28)8-7-11-20(16)29-15-21(26)24-12-5-2-6-13-24/h3-4,7-11H,2,5-6,12-15H2,1H3