1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]-2-(phenylthio)ethanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)N3CCN(CC3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c1-26-16-8-9-17(27-2)20-19(16)22-21(29-20)24-12-10-23(11-13-24)18(25)14-28-15-6-4-3-5-7-15/h3-9H,10-14H2,1-2H3