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1-Methyl-6-phenyl-2-(butylthio)-isothio-biurea
SpectraBase Compound ID 1sTUq4lvDU9
InChI InChI=1S/C13H20N4OS/c1-3-4-10-19-13(14-2)17-16-12(18)15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKey JBFCNORQPSBOOV-UHFFFAOYSA-N
Mol Weight 280.39 g/mol
Molecular Formula C13H20N4OS
Exact Mass 280.135782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J83W9dAG12N
Name 1-Methyl-6-phenyl-2-(butylthio)-isothio-biurea
Alternate Name(s) N-[[anilino(oxo)methyl]amino]-N'-methylcarbamimidothioic acid butyl ester 1-[(C-butylsulfanyl-N-methyl-carbonimidoyl)amino]-3-phenyl-urea Butyl N'-methyl-N-(phenylcarbamoylamino)carbamimidothioate
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Formula C13H20N4OS
InChI InChI=1S/C13H20N4OS/c1-3-4-10-19-13(14-2)17-16-12(18)15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKey JBFCNORQPSBOOV-UHFFFAOYSA-N
Molecular Weight 280.390 g/mol
SMILES N(\N=C\(NC)SCCCC)C(Nc1ccccc1)=O
SPLASH splash10-01ox-9070000000-dc4379d8e83872512de2
Source of Spectrum SK-31-1604-2e
Wiley ID 881980