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1-(2,5-Dichlorophenyl)-3-(2,2,2-trichloro-1-hexanamidoethyl)-2-thiourea
SpectraBase Compound ID 17Y5a387h8m
InChI InChI=1S/C15H18Cl5N3OS/c1-2-3-4-5-12(24)22-13(15(18,19)20)23-14(25)21-11-8-9(16)6-7-10(11)17/h6-8,13H,2-5H2,1H3,(H,22,24)(H2,21,23,25)
InChIKey NGHZMBYJSJOAJX-UHFFFAOYSA-N
Mol Weight 465.7 g/mol
Molecular Formula C15H18Cl5N3OS
Exact Mass 462.961322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bhw3igbwbf6
Name 1-(2,5-Dichlorophenyl)-3-(2,2,2-trichloro-1-hexanamidoethyl)-2-thiourea
CAS Registry Number 301814-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18Cl5N3OS
InChI InChI=1S/C15H18Cl5N3OS/c1-2-3-4-5-12(24)22-13(15(18,19)20)23-14(25)21-11-8-9(16)6-7-10(11)17/h6-8,13H,2-5H2,1H3,(H,22,24)(H2,21,23,25)
InChIKey NGHZMBYJSJOAJX-UHFFFAOYSA-N
Molecular Weight 465.654 g/mol
SMILES N(c1cc(ccc1Cl)Cl)C(NC(C(Cl)(Cl)Cl)NC(=O)CCCCC)=S
SPLASH splash10-000f-9300000000-af2fcfc0a29587044e84
Synonyms N-(2,2,2-Trichloro-1-([(2,5-dichloroanilino)carbothioyl]amino)ethyl)hexanamide N-[1-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]hexanamide N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]hexanamide N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)thiocarbamoylamino]ethyl]hexanamide N-[2,2,2-trichloro-1-[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]ethyl]hexanamide
Wiley ID 1469030