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

Systemtic Name: 4-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]phenyl]butan-2-one Openeye Name: 4-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]phenyl]butan-2-one CAS Name: 4-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethoxy]phenyl]butan-2-one Traditional Name: 4-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethoxy]phenyl]butan-2-one Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2S/c1-18(27)6-7-19-8-10-20(11-9-19)28-17-16-25-12-14-26(15-13-25)23-21-4-2-3-5-22(21)29-24-23/h2-5,8-11H,6-7,12-17H2,1H3