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2-[(2-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID GW7UwlGBHmG
InChI InChI=1S/C18H18ClN3O2S2/c1-9-6-7-11-13(8-9)26-17(14(11)15(20)23)22-18(25)21-16(24)10-4-2-3-5-12(10)19/h2-5,9H,6-8H2,1H3,(H2,20,23)(H2,21,22,24,25)
InChIKey BKOBWMSAYXLJJL-UHFFFAOYSA-N
Mol Weight 407.93 g/mol
Molecular Formula C18H18ClN3O2S2
Exact Mass 407.052897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMB2ScYOtIn
Name 2-[(2-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Alternate Name(s) 2-[(2-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[(2-chlorobenzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[(2-chlorophenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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Formula C18H18ClN3O2S2
InChI InChI=1S/C18H18ClN3O2S2/c1-9-6-7-11-13(8-9)26-17(14(11)15(20)23)22-18(25)21-16(24)10-4-2-3-5-12(10)19/h2-5,9H,6-8H2,1H3,(H2,20,23)(H2,21,22,24,25)
InChIKey BKOBWMSAYXLJJL-UHFFFAOYSA-N
Molecular Weight 407.934 g/mol
SMILES NC(c1c(sc2CC(CCc12)C)NC(NC(c1c(Cl)cccc1)=O)=S)=O
SPLASH splash10-01pc-7910000000-33e28d00ae7fbb6989ff
Wiley ID 1462500