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

Systemtic Name: 4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 4-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 4-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 4-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]isoindoline-1,3-quinone Formula: C23H24N4O2S MolecularWeight: 420.52726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC=CC3=C2C(=O)NC3=O)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCC2=CC=CC3=C2C(=O)NC3=O)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C23H24N4O2S/c28-22-18-9-5-7-16(20(18)23(29)24-22)6-3-4-11-26-12-14-27(15-13-26)21-17-8-1-2-10-19(17)30-25-21/h1-2,5,7-10H,3-4,6,11-15H2,(H,24,28,29)