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4-(1,3-Benzodioxol-5-ylmethyl)-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide
SpectraBase Compound ID 6sr1PvzSCGd
InChI InChI=1S/C19H19ClFN3O2S/c20-15-10-14(2-3-16(15)21)22-19(27)24-7-5-23(6-8-24)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2,(H,22,27)
InChIKey IZVWTJIIIRVVNN-UHFFFAOYSA-N
Mol Weight 407.89 g/mol
Molecular Formula C19H19ClFN3O2S
Exact Mass 407.087054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOzRgdoOqzs
Name 4-(1,3-Benzodioxol-5-ylmethyl)-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide
Alternate Name(s) 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carbothioamide 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide N-(3-chloro-4-fluoro-phenyl)-4-piperonyl-piperazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClFN3O2S
InChI InChI=1S/C19H19ClFN3O2S/c20-15-10-14(2-3-16(15)21)22-19(27)24-7-5-23(6-8-24)11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10H,5-8,11-12H2,(H,22,27)
InChIKey IZVWTJIIIRVVNN-UHFFFAOYSA-N
Molecular Weight 407.891 g/mol
SMILES N(C(N1CCN(CC1)Cc1cc2OCOc2cc1)=S)c1cc(Cl)c(cc1)F
SPLASH splash10-000i-8900000000-a82fda186404bbd1ac31
Wiley ID 1461957