2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]-4H-isoquinoline-1,3-quinone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)CC3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)CC3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H19N3O4S/c24-17-12-14-4-1-2-5-15(14)19(26)23(17)13-18(25)21-7-9-22(10-8-21)20(27)16-6-3-11-28-16/h1-6,11H,7-10,12-13H2