2-[2-oxidanyl-3-[5-(piperidin-1-ylmethyl)thiophen-2-yl]sulfanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanyl-3-[5-(piperidin-1-ylmethyl)thiophen-2-yl]sulfanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-[[5-(1-piperidylmethyl)-2-thienyl]sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-[[5-(1-piperidinylmethyl)-2-thiophenyl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-[5-(piperidin-1-ylmethyl)thiophen-2-yl]sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-[[5-(piperidinomethyl)-2-thienyl]thio]propyl]isoindoline-1,3-quinone Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(S2)SCC(CN3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(S2)SCC(CN3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C21H24N2O3S2/c24-15(12-23-20(25)17-6-2-3-7-18(17)21(23)26)14-27-19-9-8-16(28-19)13-22-10-4-1-5-11-22/h2-3,6-9,15,24H,1,4-5,10-14H2