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

Systemtic Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazino]-2-phenoxy-ethanone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-26-16-8-9-17-19(20(16)27-2)22-21(29-17)24-12-10-23(11-13-24)18(25)14-28-15-6-4-3-5-7-15/h3-9H,10-14H2,1-2H3