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

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

Systemtic Name:1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone
Openeye Name:2-benzylsulfanyl-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CAS Name:1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(phenylmethylthio)ethanone
IUPAC Name:2-benzylsulfanyl-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
Traditional Name:2-(benzylthio)-1-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazino]ethanone
Formula: C22H25N3O3S2
MolecularWeight: 443.5822
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H25N3O3S2/c1-27-17-8-9-18(28-2)21-20(17)23-22(30-21)25-12-10-24(11-13-25)19(26)15-29-14-16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3


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