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2-({[(2-chlorobenzoyl)amino]carbothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
SpectraBase Compound ID 20usXgOfip8
InChI InChI=1S/C19H20ClN3O2S2/c20-13-9-6-5-7-11(13)17(25)22-19(26)23-18-15(16(21)24)12-8-3-1-2-4-10-14(12)27-18/h5-7,9H,1-4,8,10H2,(H2,21,24)(H2,22,23,25,26)
InChIKey FXGGZICVWJGMNF-UHFFFAOYSA-N
Mol Weight 421.96 g/mol
Molecular Formula C19H20ClN3O2S2
Exact Mass 421.068547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RVCJOcP6Ne
Name 2-({[(2-chlorobenzoyl)amino]carbothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Alternate Name(s) 2-[(2-chlorobenzoyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide 2-[(2-chlorobenzoyl)thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide 2-[(2-chlorophenyl)carbonylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide 2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
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Formula C19H20ClN3O2S2
InChI InChI=1S/C19H20ClN3O2S2/c20-13-9-6-5-7-11(13)17(25)22-19(26)23-18-15(16(21)24)12-8-3-1-2-4-10-14(12)27-18/h5-7,9H,1-4,8,10H2,(H2,21,24)(H2,22,23,25,26)
InChIKey FXGGZICVWJGMNF-UHFFFAOYSA-N
Molecular Weight 421.961 g/mol
SMILES NC(c1c(sc2CCCCCCc12)NC(NC(c1c(Cl)cccc1)=O)=S)=O
SPLASH splash10-0a4i-3690000000-11fae2aecbf4377cdc7c
Wiley ID 1462499