2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]phenyl]-3H-isoindol-1-one

Systemtic Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]phenyl]-3H-isoindol-1-one Openeye Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]phenyl]isoindolin-1-one CAS Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethoxy]phenyl]-3H-isoindol-1-one IUPAC Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]phenyl]-3H-isoindol-1-one Traditional Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethoxy]phenyl]isoindolin-1-one Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O)C5=NSC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O)C5=NSC6=CC=CC=C65

InChI

InChI=1S/C27H26N4O2S/c32-27-23-6-2-1-5-20(23)19-31(27)21-9-11-22(12-10-21)33-18-17-29-13-15-30(16-14-29)26-24-7-3-4-8-25(24)34-28-26/h1-12H,13-19H2