CHEBI:105439 - 1-[[[2-(difluoromethoxy)phenyl]-oxomethyl]amino]-3-(3-methylphenyl)thiourea

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ChEBI Name 1-[[[2-(difluoromethoxy)phenyl]-oxomethyl]amino]-3-(3-methylphenyl)thiourea
ChEBI ID CHEBI:105439
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H15F2N3O2S
Net Charge 0
Average Mass 351.373
Monoisotopic Mass 351.08530
InChI InChI=1S/C16H15F2N3O2S/c1-10-5-4-6-11(9-10)19-16(24)21-20-14(22)12-7-2-3-8-13(12)23-15(17)18/h2-9,15H,1H3,(H,20,22)(H2,19,21,24)
InChIKey YMDZIEDQBSJLJF-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC=CC=C2OC(F)F
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 1-[[[2-(difluoromethoxy)phenyl]-oxomethyl]amino]-3-(3-methylphenyl)thiourea (CHEBI:105439) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-16802 LINCS
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