2-[4-(1-benzothiophen-3-yl)-4-piperazin-1-yl-but-2-ynyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(1-benzothiophen-3-yl)-4-piperazin-1-yl-but-2-ynyl]isoindole-1,3-dione Openeye Name: 2-[4-(benzothiophen-3-yl)-4-piperazin-1-yl-but-2-ynyl]isoindoline-1,3-dione CAS Name: 2-[4-(1-benzothiophen-3-yl)-4-(1-piperazinyl)but-2-ynyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-benzothiophen-3-yl)-4-piperazin-1-ylbut-2-ynyl]isoindole-1,3-dione Traditional Name: 2-[4-(benzothiophen-3-yl)-4-piperazino-but-2-ynyl]isoindoline-1,3-quinone Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C#CCN2C(=O)C3=CC=CC=C3C2=O)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1)C(C#CCN2C(=O)C3=CC=CC=C3C2=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C24H21N3O2S/c28-23-18-7-1-2-8-19(18)24(29)27(23)13-5-9-21(26-14-11-25-12-15-26)20-16-30-22-10-4-3-6-17(20)22/h1-4,6-8,10,16,21,25H,11-15H2