CHEBI:113028 - 3-(5-bromo-2-methoxyphenyl)-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-2-propenamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(5-bromo-2-methoxyphenyl)-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-2-propenamide
ChEBI ID CHEBI:113028
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:1745254, ZINC000000529951
Download Molfile XML SDF
Formula C22H24BrN3O3S
Net Charge 0
Average Mass 490.415
Monoisotopic Mass 489.07218
InChI InChI=1S/C22H24BrN3O3S/c1-28-20-8-5-18(23)14-17(20)4-9-21(27)25-22(30)24-19-6-2-16(3-7-19)15-26-10-12-29-13-11-26/h2-9,14H,10-13,15H2,1H3,(H2,24,25,27,30)
InChIKey CVCSOOLOPJVYPU-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)Br)C=CC(=O)NC(=S)NC2=CC=C(C=C2)CN3CCOCC3
ChEBI Ontology
Outgoing 3-(5-bromo-2-methoxyphenyl)-N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-2-propenamide (CHEBI:113028) is a thioureas (CHEBI:51276)
Manual Xref Database
LSM-24438 LINCS
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