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

Systemtic Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(benzothiophen-2-ylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(benzothiophen-2-ylmethyl)-4-[4-(2-furoyl)piperazino]isoindoline-1,3-quinone Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4)C(=O)C6=CC=CO6

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4)C(=O)C6=CC=CO6

InChI

InChI=1S/C26H21N3O4S/c30-24-19-6-3-7-20(27-10-12-28(13-11-27)25(31)21-8-4-14-33-21)23(19)26(32)29(24)16-18-15-17-5-1-2-9-22(17)34-18/h1-9,14-15H,10-13,16H2