CHEBI:117269 - 3-butan-2-yl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-butan-2-yl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)thiourea
ChEBI ID CHEBI:117269
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H31N3O3S
Net Charge 0
Average Mass 453.599
Monoisotopic Mass 453.20861
InChI InChI=1S/C25H31N3O3S/c1-5-17(2)26-25(32)28(12-11-18-9-7-6-8-10-18)16-20-13-19-14-22(30-3)23(31-4)15-21(19)27-24(20)29/h6-10,13-15,17H,5,11-12,16H2,1-4H3,(H,26,32)(H,27,29)
InChIKey YAZOIIMRVUPEOT-UHFFFAOYSA-N
SMILES CCC(C)NC(=S)N(CCC1=CC=CC=C1)CC2=CC3=CC(=C(C=C3NC2=O)OC)OC
ChEBI Ontology
Outgoing 3-butan-2-yl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)thiourea (CHEBI:117269) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-28718 LINCS
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