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1-(Phenylmethyl)-3-[6-[(phenylmethyl)carbamothioylamino]hexyl]thiourea
SpectraBase Compound ID FPG3tCgsmkf
InChI InChI=1S/C22H30N4S2/c27-21(25-17-19-11-5-3-6-12-19)23-15-9-1-2-10-16-24-22(28)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25,27)(H2,24,26,28)
InChIKey NNTYUPBKUAQVHQ-UHFFFAOYSA-N
Mol Weight 414.63 g/mol
Molecular Formula C22H30N4S2
Exact Mass 414.191189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JcagaW6jdIB
Name 1-(Phenylmethyl)-3-[6-[(phenylmethyl)carbamothioylamino]hexyl]thiourea
Alternate Name(s) 1-(Phenylmethyl)-3-[6-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]hexyl]thiourea 1-Benzyl-3-[6-(benzylcarbamothioylamino)hexyl]thiourea 1-Benzyl-3-[6-(benzylthiocarbamoylamino)hexyl]thiourea
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Formula C22H30N4S2
InChI InChI=1S/C22H30N4S2/c27-21(25-17-19-11-5-3-6-12-19)23-15-9-1-2-10-16-24-22(28)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25,27)(H2,24,26,28)
InChIKey NNTYUPBKUAQVHQ-UHFFFAOYSA-N
Molecular Weight 414.630 g/mol
SMILES N(CCCCCCNC(=S)NCc1ccccc1)C(=S)NCc1ccccc1
SPLASH splash10-0007-9410000000-fc014108d1f4e9371806
Source of Spectrum AJ-43-596-7
Wiley ID 1594057