4-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-pyridylmethyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-pyridinylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-pyridylmethyl)piperazino]butan-1-one Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=N2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=N2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4OS/c26-21(10-5-9-20-23-18-7-1-2-8-19(18)27-20)25-14-12-24(13-15-25)16-17-6-3-4-11-22-17/h1-4,6-8,11H,5,9-10,12-16H2