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

Systemtic Name: 2-[[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-(1-oxo-3,3-diphenylpropyl)-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(3,3-diphenylpropanoyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O2S/c31-24-13-7-12-23-27(24)33-25(28-23)19-29-14-16-30(17-15-29)26(32)18-22(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,22H,7,12-19H2