CHEBI:108444 - 4-[[[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-[[[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid
ChEBI ID CHEBI:108444
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H16N2O4S
Net Charge 0
Average Mass 356.397
Monoisotopic Mass 356.08308
InChI InChI=1S/C18H16N2O4S/c1-24-15-9-2-12(3-10-15)4-11-16(21)20-18(25)19-14-7-5-13(6-8-14)17(22)23/h2-11H,1H3,(H,22,23)(H2,19,20,21,25)
InChIKey OXPUWPKKVUOOJN-UHFFFAOYSA-N
SMILES COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O
ChEBI Ontology
Outgoing 4-[[[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzoic acid (CHEBI:108444) is a thioureas (CHEBI:51276)
Manual Xref Database
LSM-19820 LINCS
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