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3-[(4-benzhydrylpiperazin-1-yl)methyl]-6-ethoxy-1,3-benzothiazole-2-thione
SpectraBase Compound ID KGrBlOJlpNI
InChI InChI=1S/C27H29N3OS2/c1-2-31-23-13-14-24-25(19-23)33-27(32)30(24)20-28-15-17-29(18-16-28)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,26H,2,15-18,20H2,1H3
InChIKey IWWRJEOZPANBGI-UHFFFAOYSA-N
Mol Weight 475.67 g/mol
Molecular Formula C27H29N3OS2
Exact Mass 475.175205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPXgmkiVYy7
Name 3-[(4-benzhydrylpiperazin-1-yl)methyl]-6-ethoxy-1,3-benzothiazole-2-thione
Alternate Name(s) 3-[(4-benzhydrylpiperazino)methyl]-6-ethoxy-1,3-benzothiazole-2-thione 3-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-6-ethoxy-1,3-benzothiazole-2-thione 3-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-6-ethoxy-1,3-benzothiazole-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N3OS2
InChI InChI=1S/C27H29N3OS2/c1-2-31-23-13-14-24-25(19-23)33-27(32)30(24)20-28-15-17-29(18-16-28)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,26H,2,15-18,20H2,1H3
InChIKey IWWRJEOZPANBGI-UHFFFAOYSA-N
Molecular Weight 475.669 g/mol
SMILES c1ccc(C(N2CCN(CN3C(Sc4c3ccc(OCC)c4)=S)CC2)c2ccccc2)cc1
SPLASH splash10-02ai-5940000000-a43aca2f9366303ede5c
Wiley ID 1455077