2-(pyridin-4-ylmethyl)-4-[(3S)-3-thiomorpholin-4-ylcarbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(pyridin-4-ylmethyl)-4-[(3S)-3-thiomorpholin-4-ylcarbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(4-pyridylmethyl)-4-[(3S)-3-(thiomorpholine-4-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 4-[(3S)-3-[oxo(thiomorpholin-4-yl)methyl]-1-piperidinyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione IUPAC Name: 2-(pyridin-4-ylmethyl)-4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(4-pyridylmethyl)-4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=NC=C4)C(=O)N5CCSCC5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=NC=C4)C(=O)N5CCSCC5

InChI

InChI=1S/C24H26N4O3S/c29-22(26-11-13-32-14-12-26)18-3-2-10-27(16-18)20-5-1-4-19-21(20)24(31)28(23(19)30)15-17-6-8-25-9-7-17/h1,4-9,18H,2-3,10-16H2/t18-/m0/s1