1-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22ClN3OS2 MolecularWeight: 432.00188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4)Cl

InChI

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