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2-[(4-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID AHge8wI92TH
InChI InChI=1S/C18H18ClN3O2S2/c1-9-2-7-12-13(8-9)26-17(14(12)15(20)23)22-18(25)21-16(24)10-3-5-11(19)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,20,23)(H2,21,22,24,25)
InChIKey QUHMJKZLRSPWCD-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 CYa9LBrpPoH
Name 2-[(4-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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Formula C18H18ClN3O2S2
InChI InChI=1S/C18H18ClN3O2S2/c1-9-2-7-12-13(8-9)26-17(14(12)15(20)23)22-18(25)21-16(24)10-3-5-11(19)6-4-10/h3-6,9H,2,7-8H2,1H3,(H2,20,23)(H2,21,22,24,25)
InChIKey QUHMJKZLRSPWCD-UHFFFAOYSA-N
Molecular Weight 407.934 g/mol
SMILES NC(c1c(sc2CC(CCc12)C)NC(NC(c1ccc(cc1)Cl)=O)=S)=O
SPLASH splash10-0a5i-1932000000-ab1de32428559585f58a
Synonyms 2-[(4-chlorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[(4-chlorobenzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide 2-[(4-chlorophenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 2-[[[[(4-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Wiley ID 1454649