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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=O)CC3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=O)CC3=CC=CC=C3C2=O)C(=O)C4=CC=CS4

InChI

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