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2-Bromanyl-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
SpectraBase Compound ID J3DbT0JSOvs
InChI InChI=1S/C19H18BrN3OS2/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 LHZGWKAEIUEQOZ-UHFFFAOYSA-N
Mol Weight 448.4 g/mol
Molecular Formula C19H18BrN3OS2
Exact Mass 447.007468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71QjBS2vWdA
Name 2-Bromanyl-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18BrN3OS2
InChI InChI=1S/C19H18BrN3OS2/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 LHZGWKAEIUEQOZ-UHFFFAOYSA-N
Molecular Weight 448.397 g/mol
SMILES N(c1c(c2CCCCCCc2s1)C#N)C(NC(c1c(Br)cccc1)=O)=S
SPLASH splash10-0as0-4921000000-995fc7baed588bff3440
Synonyms 2-Bromo-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamothioyl]benzamide 2-Bromo-N-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)thiocarbamoyl]benzamide 2-Bromo-N-[[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]benzamide
Wiley ID 1461881