IDD594 (CHEBI:47533)

CHEBI:47533 - IDD594

Formula	C16H12BrF2NO3S
Net Charge	0
Average Mass	416.243
Monoisotopic Mass	414.96893
SMILES	[H]OC(=O)C([H])([H])Oc1c([H])c(F)c([H])c([H])c1C(=S)N([H])C([H])([H])c1c([H])c([H])c(Br)c([H])c1F
InChI	InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22)
InChIKey	JCZUIWYXULSXSW-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	IDD594 (CHEBI:47533) is a unclassifieds (CHEBI:27189)

Synonyms	Source
{2-[(4-bromo-2-fluorobenzyl)carbamothioyl]-5-fluorophenoxy}acetic acid	PDBeChem
IDD594	PDBeChem

Manual Xrefs	Databases
LDT	PDBeChem