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

Systemtic Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidyl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidinyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-methylpiperazino)-3-[1-(piazthiol-5-ylmethyl)-3-piperidyl]propan-1-one Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCCN(C2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC2CCCN(C2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C20H29N5OS/c1-23-9-11-25(12-10-23)20(26)7-5-16-3-2-8-24(14-16)15-17-4-6-18-19(13-17)22-27-21-18/h4,6,13,16H,2-3,5,7-12,14-15H2,1H3