3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-(piazthiol-5-ylmethyl)-3-piperidyl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C24H30N6OS MolecularWeight: 450.5996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=NSN=C3C=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=NSN=C3C=C2)CCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C24H30N6OS/c31-24(30-14-12-29(13-15-30)23-5-1-2-10-25-23)9-7-19-4-3-11-28(17-19)18-20-6-8-21-22(16-20)27-32-26-21/h1-2,5-6,8,10,16,19H,3-4,7,9,11-15,17-18H2