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

Systemtic Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazino]-3-keto-propyl]isoindoline-1,3-quinone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H20N4O3S/c27-19(9-10-26-21(28)15-5-1-2-6-16(15)22(26)29)24-11-13-25(14-12-24)20-17-7-3-4-8-18(17)30-23-20/h1-8H,9-14H2