3-methyl-6-[4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one dihydrochloride

Systemtic Name: 3-methyl-6-[4-[4-(phenylmethyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one dihydrochloride Openeye Name: 6-[4-(4-benzylpiperazin-1-yl)butyl]-3-methyl-1,3-benzothiazol-2-one dihydrochloride CAS Name: 3-methyl-6-[4-[4-(phenylmethyl)-1-piperazinyl]butyl]-1,3-benzothiazol-2-one dihydrochloride IUPAC Name: 6-[4-(4-benzylpiperazin-1-yl)butyl]-3-methyl-1,3-benzothiazol-2-one dihydrochloride Traditional Name: 6-[4-(4-benzylpiperazino)butyl]-3-methyl-1,3-benzothiazol-2-one dihydrochloride Formula: C23H31Cl2N3OS MolecularWeight: 468.48274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCCCN3CCN(CC3)CC4=CC=CC=C4)SC1=O.Cl.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCCCN3CCN(CC3)CC4=CC=CC=C4)SC1=O.Cl.Cl

InChI

InChI=1S/C23H29N3OS.2ClH/c1-24-21-11-10-19(17-22(21)28-23(24)27)7-5-6-12-25-13-15-26(16-14-25)18-20-8-3-2-4-9-20;;/h2-4,8-11,17H,5-7,12-16,18H2,1H3;2*1H