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4-benzhydryl-N-(4-methoxyphenyl)-1-piperazinecarbothioamide

View entire compound with spectra: 2 NMR

4-benzhydryl-N-(4-methoxyphenyl)-1-piperazinecarbothioamide
SpectraBase Compound ID 2RJSpM8jHJi
InChI InChI=1S/C25H27N3OS/c1-29-23-14-12-22(13-15-23)26-25(30)28-18-16-27(17-19-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3,(H,26,30)
InChIKey OXJSFQMQTLUGIC-UHFFFAOYSA-N
Mol Weight 417.57 g/mol
Molecular Formula C25H27N3OS
Exact Mass 417.187484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwBoYX3clC6
Name 4-Benzhydryl-N-(4-methoxyphenyl)-1-piperazinecarbothioamide
Comments Computed using HOSE algorithm
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Exact Mass 417.187483674 u
Formula C25H27N3OS
InChI InChI=1S/C25H27N3OS/c1-29-23-14-12-22(13-15-23)26-25(30)28-18-16-27(17-19-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3,(H,26,30)
InChIKey OXJSFQMQTLUGIC-UHFFFAOYSA-N
Molecular Weight 417.571 g/mol
SMILES N(C(N1CCN(CC1)C(C=1C=CC=CC1)C1=CC=CC=C1)=S)C1=CC=C(C=C1)OC