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(2Z)-2-Cyano-3-({[2-ethyl-6-(2-methyl-2-propanyl)phenyl]carbamothioyl}amino)acrylamide

ChemSpider ID: 21213194
Molecular Formula: C₁₇H₂₂N₄OS
Average mass: 330.447815 Da
Monoisotopic mass: 330.151428 Da
Systematic name

(2Z)-2-Cyano-3-({[2-ethyl-6-(2-methyl-2-propanyl)phenyl]carbamothioyl}amino)acrylamide
SMILES and InChIs

SMILES:

S=C(Nc1c(cccc1C(C)(C)C)CC)N/C=C(/C#N)C(=O)N Copied

Std. InChI:

InChI=1S/C17H22N4OS/c1-5-11-7-6-8-13(17(2,3)4)14(11)21-16(23)20-10-12(9-18)15(19)22/h6-8,10H,5H2,1-4H3,(H2,19,22)(H2,20,21,23)/b12-10- Copied

Std. InChIKey:

KYFOIAWKPSURFK-BENRWUELSA-N Copied
Cite this record
CSID:21213194, http://www.chemspider.com/Chemical-Structure.21213194.html (accessed 01:02, May 25, 2012) Copied

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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