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

Systemtic Name: 2-[3-oxidanylidene-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-oxo-3-[4-(3-thienylmethyl)piperazin-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-oxo-3-[4-(3-thiophenylmethyl)-1-piperazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-oxo-3-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-keto-3-[4-(3-thenyl)piperazino]propyl]isoindoline-1,3-quinone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O3S/c24-18(22-10-8-21(9-11-22)13-15-6-12-27-14-15)5-7-23-19(25)16-3-1-2-4-17(16)20(23)26/h1-4,6,12,14H,5,7-11,13H2