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

Systemtic Name: 2-[[4-(2,2-diphenylethanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(2,2-diphenylacetyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-(1-oxo-2,2-diphenylethyl)-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(2,2-diphenylacetyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(2,2-diphenylacetyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2S/c30-22-13-7-12-21-25(22)32-23(27-21)18-28-14-16-29(17-15-28)26(31)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,24H,7,12-18H2