2-[3-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-[2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[[1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[[2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]thio]propyl]isoindoline-1,3-quinone Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H30N2O3S/c1-19(24(29)27-15-12-21(13-16-27)18-20-8-3-2-4-9-20)32-17-7-14-28-25(30)22-10-5-6-11-23(22)26(28)31/h2-6,8-11,19,21H,7,12-18H2,1H3