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4-(1,3-Benzodioxol-5-ylmethyl)-N-(3-chlorophenyl)-1-piperazinecarbothioamide

View entire compound with spectra: 1 MS (GC)

4-(1,3-Benzodioxol-5-ylmethyl)-N-(3-chlorophenyl)-1-piperazinecarbothioamide
SpectraBase Compound ID 1noM7msZUmo
InChI InChI=1S/C19H20ClN3O2S/c20-15-2-1-3-16(11-15)21-19(26)23-8-6-22(7-9-23)12-14-4-5-17-18(10-14)25-13-24-17/h1-5,10-11H,6-9,12-13H2,(H,21,26)
InChIKey JQHVSXBFSCWNED-UHFFFAOYSA-N
Mol Weight 389.9 g/mol
Molecular Formula C19H20ClN3O2S
Exact Mass 389.096476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dkIVXwBlpD
Name 4-(1,3-Benzodioxol-5-ylmethyl)-N-(3-chlorophenyl)-1-piperazinecarbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20ClN3O2S
InChI InChI=1S/C19H20ClN3O2S/c20-15-2-1-3-16(11-15)21-19(26)23-8-6-22(7-9-23)12-14-4-5-17-18(10-14)25-13-24-17/h1-5,10-11H,6-9,12-13H2,(H,21,26)
InChIKey JQHVSXBFSCWNED-UHFFFAOYSA-N
Molecular Weight 389.901 g/mol
SMILES N(C(N1CCN(CC1)Cc1cc2OCOc2cc1)=S)c1cc(Cl)ccc1
SPLASH splash10-00ku-9800000000-32c2d172c0fd2de102cc
Synonyms 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chlorophenyl)piperazine-1-carbothioamide N-(3-chlorophenyl)-4-piperonyl-piperazine-1-carbothioamide
Wiley ID 1452674