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2-Chloranyl-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
SpectraBase Compound ID jsn0ySsg1y
InChI InChI=1S/C19H18ClN3OS2/c20-15-9-6-5-8-13(15)17(24)22-19(25)23-18-14(11-21)12-7-3-1-2-4-10-16(12)26-18/h5-6,8-9H,1-4,7,10H2,(H2,22,23,24,25)
InChIKey AIFOWXOCGXSATK-UHFFFAOYSA-N
Mol Weight 403.95 g/mol
Molecular Formula C19H18ClN3OS2
Exact Mass 403.057982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cktpEIoN0p
Name 2-Chloranyl-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
Alternate Name(s) 2-Chloro-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide 2-Chloro-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)thiocarbamoyl]benzamide 2-Chloro-N-[[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]benzamide N-(2-chlorobenzoyl)-N'-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thien-2-yl)thiourea
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Formula C19H18ClN3OS2
InChI InChI=1S/C19H18ClN3OS2/c20-15-9-6-5-8-13(15)17(24)22-19(25)23-18-14(11-21)12-7-3-1-2-4-10-16(12)26-18/h5-6,8-9H,1-4,7,10H2,(H2,22,23,24,25)
InChIKey AIFOWXOCGXSATK-UHFFFAOYSA-N
Molecular Weight 403.946 g/mol
SMILES N(c1c(c2CCCCCCc2s1)C#N)C(NC(c1c(Cl)cccc1)=O)=S
SPLASH splash10-000i-2930000000-f5e8acf72eb616691994
Wiley ID 1462502