2-(4-chloranylphenoxy)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)COC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C21H22ClN3O4S/c1-27-16-7-8-17-19(20(16)28-2)23-21(30-17)25-11-9-24(10-12-25)18(26)13-29-15-5-3-14(22)4-6-15/h3-8H,9-13H2,1-2H3