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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > (trifluoromethyl)benzenes > 1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea

Preferred term

1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C17H17F3N4OS2

inchi

  • InChI=1S/C17H17F3N4OS2/c1-2-25-14-8-6-12(7-9-14)21-15(26)23-24-16(27)22-13-5-3-4-11(10-13)17(18,19)20/h3-10H,2H2,1H3,(H2,21,23,26)(H2,22,24,27)

inchikey

  • WFNVXQSKBQAFMR-UHFFFAOYSA-N

mass

  • 414.471

monoisotopicmass

  • 414.07959

smiles

  • CCOC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116988

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