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

Systemtic Name: 1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O2S2/c1-27-17-8-7-16(22)20-19(17)23-21(29-20)25-11-9-24(10-12-25)18(26)14-28-13-15-5-3-2-4-6-15/h2-8H,9-14H2,1H3