1-[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22ClN3OS2 MolecularWeight: 432.00188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3OS2/c1-15-7-8-17(22)20-19(15)23-21(28-20)25-11-9-24(10-12-25)18(26)14-27-13-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3