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4-Chloro-N-[4-(4-nitro-phenyl)-piperazine-1-carbothioyl]-benzamide
SpectraBase Compound ID 5IFzNu1HUE8
InChI InChI=1S/C18H17ClN4O3S/c19-14-3-1-13(2-4-14)17(24)20-18(27)22-11-9-21(10-12-22)15-5-7-16(8-6-15)23(25)26/h1-8H,9-12H2,(H,20,24,27)
InChIKey KAABZCWLBHQZPK-UHFFFAOYSA-N
Mol Weight 404.87 g/mol
Molecular Formula C18H17ClN4O3S
Exact Mass 404.070989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCGq9qQNIBH
Name 4-Chloro-N-[4-(4-nitro-phenyl)-piperazine-1-carbothioyl]-benzamide
Alternate Name(s) 4-Chloranyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide 4-Chloro-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide
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Formula C18H17ClN4O3S
InChI InChI=1S/C18H17ClN4O3S/c19-14-3-1-13(2-4-14)17(24)20-18(27)22-11-9-21(10-12-22)15-5-7-16(8-6-15)23(25)26/h1-8H,9-12H2,(H,20,24,27)
InChIKey KAABZCWLBHQZPK-UHFFFAOYSA-N
Molecular Weight 404.872 g/mol
SMILES N(C(N1CCN(CC1)c1ccc(cc1)N(=O)=O)=S)C(c1ccc(cc1)Cl)=O
SPLASH splash10-00kr-3900000000-1bc75c13e733183781c4
Wiley ID 1446477