2-[2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-[2-oxo-2-(1-piperidyl)ethyl]indol-3-yl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[1-[2-oxo-2-(1-piperidinyl)ethyl]-3-indolyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[1-(2-keto-2-piperidino-ethyl)indol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H25N3O3S/c29-23(26-12-6-1-7-13-26)17-27-16-22(20-10-4-5-11-21(20)27)32-15-14-28-24(30)18-8-2-3-9-19(18)25(28)31/h2-5,8-11,16H,1,6-7,12-15,17H2