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4-(1,3-Benzodioxol-5-ylmethyl)-N-benzyl-1-piperazinecarbothioamide
SpectraBase Compound ID 3lA8KkL6uAa
InChI InChI=1S/C20H23N3O2S/c26-20(21-13-16-4-2-1-3-5-16)23-10-8-22(9-11-23)14-17-6-7-18-19(12-17)25-15-24-18/h1-7,12H,8-11,13-15H2,(H,21,26)
InChIKey DFDKXZVXHHTGSJ-UHFFFAOYSA-N
Mol Weight 369.48 g/mol
Molecular Formula C20H23N3O2S
Exact Mass 369.151098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xiAUQxD38P
Name 4-(1,3-Benzodioxol-5-ylmethyl)-N-benzyl-1-piperazinecarbothioamide
Alternate Name(s) 4-(1,3-benzodioxol-5-ylmethyl)-N-(phenylmethyl)-1-piperazinecarbothioamide 4-(1,3-benzodioxol-5-ylmethyl)-N-(phenylmethyl)piperazine-1-carbothioamide 4-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-piperazine-1-carbothioamide N-benzyl-4-piperonyl-piperazine-1-carbothioamide Piperazine-1-carbothioic acid, 4-benzo[1,3]dioxol-5-ylmethyl-, benzylamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3O2S
InChI InChI=1S/C20H23N3O2S/c26-20(21-13-16-4-2-1-3-5-16)23-10-8-22(9-11-23)14-17-6-7-18-19(12-17)25-15-24-18/h1-7,12H,8-11,13-15H2,(H,21,26)
InChIKey DFDKXZVXHHTGSJ-UHFFFAOYSA-N
Molecular Weight 369.483 g/mol
SMILES N(C(N1CCN(CC1)Cc1cc2OCOc2cc1)=S)Cc1ccccc1
SPLASH splash10-000l-8910000000-f478499f278f88e48de2
Wiley ID 1437118