2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]ethyl]isoindoline-1,3-quinone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O3S/c26-20(24-12-10-23(11-13-24)17-6-2-1-3-7-17)16-29-15-14-25-21(27)18-8-4-5-9-19(18)22(25)28/h1-9H,10-16H2