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

Systemtic Name: 2-[[4-(4-phenylphenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(4-phenylbenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[oxo-(4-phenylphenyl)methyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(4-phenylbenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(4-phenylbenzoyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c29-22-8-4-7-21-24(22)31-23(26-21)17-27-13-15-28(16-14-27)25(30)20-11-9-19(10-12-20)18-5-2-1-3-6-18/h1-3,5-6,9-12H,4,7-8,13-17H2