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2-[[2,2,2-trichloro-1-[(3-chlorobenzoyl)amino]ethyl]thiocarbamoylamino]benzoic acid methyl ester
SpectraBase Compound ID 9lrfYpkLEPp
InChI InChI=1S/C18H15Cl4N3O3S/c1-28-15(27)12-7-2-3-8-13(12)23-17(29)25-16(18(20,21)22)24-14(26)10-5-4-6-11(19)9-10/h2-9,16H,1H3,(H,24,26)(H2,23,25,29)
InChIKey HNEQJIQIVJKODL-UHFFFAOYSA-N
Mol Weight 495.2 g/mol
Molecular Formula C18H15Cl4N3O3S
Exact Mass 492.958823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sX3S6w60cN
Name 2-[[2,2,2-trichloro-1-[(3-chlorobenzoyl)amino]ethyl]thiocarbamoylamino]benzoic acid methyl ester
Alternate Name(s) 2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(3-chlorophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid methyl ester Methyl 2-([((2,2,2-trichloro-1-[(3-chlorobenzoyl)amino]ethyl)amino)carbothioyl]amino)benzoate Methyl 2-[[2,2,2-trichloro-1-[(3-chlorobenzoyl)amino]ethyl]carbamothioylamino]benzoate Methyl 2-[[2,2,2-tris(chloranyl)-1-[(3-chlorophenyl)carbonylamino]ethyl]carbamothioylamino]benzoate
CAS Registry Number 294655-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15Cl4N3O3S
InChI InChI=1S/C18H15Cl4N3O3S/c1-28-15(27)12-7-2-3-8-13(12)23-17(29)25-16(18(20,21)22)24-14(26)10-5-4-6-11(19)9-10/h2-9,16H,1H3,(H,24,26)(H2,23,25,29)
InChIKey HNEQJIQIVJKODL-UHFFFAOYSA-N
Molecular Weight 495.208 g/mol
SMILES N(c1c(cccc1)C(=O)OC)C(=S)NC(C(Cl)(Cl)Cl)NC(=O)c1cc(ccc1)Cl
SPLASH splash10-000i-9800000000-6ab051e0d3e84326b02c
Wiley ID 1469027