CHEBI:104981 - 1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea
ChEBI ID CHEBI:104981
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H25FN2S
Net Charge 0
Average Mass 344.491
Monoisotopic Mass 344.17225
InChI InChI=1S/C20H25FN2S/c1-4-14(2)17-7-9-18(10-8-17)15(3)23-20(24)22-13-16-5-11-19(21)12-6-16/h5-12,14-15H,4,13H2,1-3H3,(H2,22,23,24)
InChIKey MLLCULQTRUENTM-UHFFFAOYSA-N
SMILES CCC(C)C1=CC=C(C=C1)C(C)NC(=S)NCC2=CC=C(C=C2)F
ChEBI Ontology
Outgoing 1-[1-(4-butan-2-ylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea (CHEBI:104981) is a monoterpenoid (CHEBI:25409)
Manual Xref Database
LSM-16344 LINCS
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