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2-(4-benzhydryl-1-piperazinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

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2-(4-benzhydryl-1-piperazinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SpectraBase Compound ID 2NDQHZAtPmI
InChI InChI=1S/C27H28N4O2S/c1-33-22-12-13-23-24(18-22)34-27(28-23)29-25(32)19-30-14-16-31(17-15-30)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,26H,14-17,19H2,1H3,(H,28,29,32)
InChIKey JSMDPHDGJSLUFX-UHFFFAOYSA-N
Mol Weight 472.61 g/mol
Molecular Formula C27H28N4O2S
Exact Mass 472.193297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2uiBiVDOP5r
Name 2-(4-Benzhydryl-1-piperazinyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 472.193297330 u
Formula C27H28N4O2S
InChI InChI=1S/C27H28N4O2S/c1-33-22-12-13-23-24(18-22)34-27(28-23)29-25(32)19-30-14-16-31(17-15-30)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,26H,14-17,19H2,1H3,(H,28,29,32)
InChIKey JSMDPHDGJSLUFX-UHFFFAOYSA-N
Molecular Weight 472.607 g/mol
SMILES N(C1=NC2=CC=C(C=C2S1)OC)C(CN1CCN(CC1)C(C=1C=CC=CC1)C1=CC=CC=C1)=O