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

Systemtic Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazino]ethanone Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S2/c1-26-17-8-5-9-18-20(17)22-21(28-18)24-12-10-23(11-13-24)19(25)15-27-14-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3