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4-Bromanyl-N-[3-methyl-5-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Bromanyl-N-[3-methyl-5-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
SpectraBase Compound ID Fzs9yCOb3Lo
InChI InChI=1S/C14H15BrN4O3S/c1-16-11(20)7-10-13(22)18(2)14(23)19(10)17-12(21)8-3-5-9(15)6-4-8/h3-6,10H,7H2,1-2H3,(H,16,20)(H,17,21)
InChIKey LEJKNVVCMGPEGB-UHFFFAOYSA-N
Mol Weight 399.26 g/mol
Molecular Formula C14H15BrN4O3S
Exact Mass 398.004825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JS39jChcD6v
Name 4-Bromanyl-N-[3-methyl-5-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.004824530 u
Formula C14H15BrN4O3S
InChI InChI=1S/C14H15BrN4O3S/c1-16-11(20)7-10-13(22)18(2)14(23)19(10)17-12(21)8-3-5-9(15)6-4-8/h3-6,10H,7H2,1-2H3,(H,16,20)(H,17,21)
InChIKey LEJKNVVCMGPEGB-UHFFFAOYSA-N
Molecular Weight 399.263 g/mol
SMILES CNC(CC1N(C(N(C)C1=O)=S)NC(C=1C=CC(=CC1)Br)=O)=O