1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]-2-phenoxy-ethanone Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S2/c1-26-16-7-8-17-18(13-16)27-20(21-17)23-11-9-22(10-12-23)19(24)14-25-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3