2-[4-[4-(1,2-benzothiazol-3-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(1,2-benzothiazol-3-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[1,2-benzothiazol-3-yl(oxo)methyl]-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(1,2-benzothiazole-3-carbonyl)piperazino]-4-keto-butyl]isoindoline-1,3-quinone Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C24H22N4O4S/c29-20(10-5-11-28-22(30)16-6-1-2-7-17(16)23(28)31)26-12-14-27(15-13-26)24(32)21-18-8-3-4-9-19(18)33-25-21/h1-4,6-9H,5,10-15H2