2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-4H-isoquinoline-1,3-quinone Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)CC3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)CC3=CC=CC=C3C2=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C24H26N4O2S/c29-22-17-18-7-1-2-8-19(18)24(30)28(22)12-6-5-11-26-13-15-27(16-14-26)23-20-9-3-4-10-21(20)31-25-23/h1-4,7-10H,5-6,11-17H2