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

Systemtic Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3H-isoindol-1-one Openeye Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]isoindolin-1-one CAS Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3H-isoindol-1-one IUPAC Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3H-isoindol-1-one Traditional Name: 2-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]isoindolin-1-one Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O)C5=NSC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O)C5=NSC6=CC=CC=C65

InChI

InChI=1S/C27H26N4OS/c32-27-23-6-2-1-5-21(23)19-31(27)22-11-9-20(10-12-22)13-14-29-15-17-30(18-16-29)26-24-7-3-4-8-25(24)33-28-26/h1-12H,13-19H2