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

Systemtic Name: 2-[2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]ethyl]isoindoline-1,3-quinone Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3S/c1-17(21(27)25-13-11-24(12-14-25)18-7-3-2-4-8-18)30-16-15-26-22(28)19-9-5-6-10-20(19)23(26)29/h2-10,17H,11-16H2,1H3