2-[4-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(2-thenoyl)piperazino]butyl]isoindoline-1,3-quinone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S/c25-18(22-10-12-23(13-11-22)21(28)17-7-4-14-29-17)8-3-9-24-19(26)15-5-1-2-6-16(15)20(24)27/h1-2,4-7,14H,3,8-13H2