2-[[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(2-benzylsulfanylacetyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(2-benzylsulfanylacetyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-[2-(benzylthio)acetyl]piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S2/c25-18-8-4-7-17-21(18)28-19(22-17)13-23-9-11-24(12-10-23)20(26)15-27-14-16-5-2-1-3-6-16/h1-3,5-6H,4,7-15H2