Terminology Service for NFDI4Health
N-(methyl-1,2-thiazolin-5-ylidene)phenylacetamide
Go to external page
http://purl.obolibrary.org/obo/CHEBI_7100
Term info
Label
N-(methyl-1,2-thiazolin-5-ylidene)phenylacetamide
Subsets
2_STAR
charge
0
formula
C20H16ClF3N2O2S
has obo namespace
chebi_ontology
has related synonym
ITOPA, N-(Methylisothiazolin-5-ylidene)phenylacetamide
id
CHEBI:7100
inchi
InChI=1S/C20H16ClF3N2O2S/c1-12-18(21)19(29-25-12)26(2)17(27)11-13-3-7-15(8-4-13)28-16-9-5-14(6-10-16)20(22,23)24/h3-10H,11H2,1-2H3
inchikey
AWUHASQZSYOAQH-UHFFFAOYSA-N
mass
440.868
monoisotopicmass
440.05731
smiles
CN(C(=O)Cc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)c1snc(C)c1Cl