2-[2-oxidanyl-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanyl-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-[4-[2-(2-thienyl)ethyl]piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-[4-(2-thiophen-2-ylethyl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-[4-[2-(2-thienyl)ethyl]piperazino]propyl]isoindoline-1,3-quinone Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CS2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC=CS2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C21H25N3O3S/c25-16(15-24-20(26)18-5-1-2-6-19(18)21(24)27)14-23-11-9-22(10-12-23)8-7-17-4-3-13-28-17/h1-6,13,16,25H,7-12,14-15H2