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2-(1-Phenethyl-1H-benzoimidazol-2-ylmethyl)-isothiourea
SpectraBase Compound ID 3vuDPzOHs7Z
InChI InChI=1S/C17H18N4S/c18-17(19)22-12-16-20-14-8-4-5-9-15(14)21(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H3,18,19)
InChIKey AQEQOCLXTPRSAJ-UHFFFAOYSA-N
Mol Weight 310.42 g/mol
Molecular Formula C17H18N4S
Exact Mass 310.125218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58kTogXpasP
Name 2-(1-Phenethyl-1H-benzoimidazol-2-ylmethyl)-isothiourea
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Formula C17H18N4S
InChI InChI=1S/C17H18N4S/c18-17(19)22-12-16-20-14-8-4-5-9-15(14)21(16)11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H3,18,19)
InChIKey AQEQOCLXTPRSAJ-UHFFFAOYSA-N
Molecular Weight 310.419 g/mol
SMILES N=C(SCc1[n](c2c(cccc2)n1)CCc1ccccc1)N
SPLASH splash10-03xr-5940000000-180506f09edd51b03b13
Synonyms (1-phenethylbenzimidazol-2-yl)methyl carbamimidothioate 2-[(1-phenethylbenzimidazol-2-yl)methyl]isothiourea [1-(2-Phenylethyl)-1H-benzimidazol-2-yl]methyl imidothiocarbamate Carbamimidothioic acid [1-(2-phenylethyl)-2-benzimidazolyl]methyl ester 2-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]isothiourea
Wiley ID 1462106