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5-(4-Methoxybenzylidene)-3-(piperidinomethyl)-2-thiohydantoine

View entire compound with spectra: 1 MS (GC)

5-(4-Methoxybenzylidene)-3-(piperidinomethyl)-2-thiohydantoine
SpectraBase Compound ID Erq6GaT7haK
InChI InChI=1S/C17H21N3O2S/c1-22-14-7-5-13(6-8-14)11-15-16(21)20(17(23)18-15)12-19-9-3-2-4-10-19/h5-8H,2-4,9-12H2,1H3
InChIKey RPJBHEMBJQCZRV-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C17H21N3O2S
Exact Mass 331.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rPzWrj7Qd
Name 5-(4-Methoxybenzylidene)-3-(piperidinomethyl)-2-thiohydantoine
Alternate Name(s) (5Z)-5-(4-Methoxybenzylidene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone 5-(4-Methoxybenzyl)-3-(1-piperidinylmethyl)-2-thioxo-2,3-dihydro-4H-imidazol-4-one 5-(4-Methoxybenzylidene)-3-(piperidinomethyl)-2-thiohydantoin
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Formula C17H21N3O2S
InChI InChI=1S/C17H21N3O2S/c1-22-14-7-5-13(6-8-14)11-15-16(21)20(17(23)18-15)12-19-9-3-2-4-10-19/h5-8H,2-4,9-12H2,1H3
InChIKey RPJBHEMBJQCZRV-UHFFFAOYSA-N
Molecular Weight 331.434 g/mol
SMILES C1(N(C(C(=N1)Cc1ccc(cc1)OC)=O)CN1CCCCC1)=S
SPLASH splash10-0002-9210000000-d18d2ba8a3a2e58e3098
Wiley ID 1467834