2-[[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(benzothiophen-3-ylmethyl)piperazino]methyl]isoindoline-1,3-quinone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H21N3O2S/c26-21-18-6-1-2-7-19(18)22(27)25(21)15-24-11-9-23(10-12-24)13-16-14-28-20-8-4-3-5-17(16)20/h1-8,14H,9-13,15H2