Compound Identification
SMILES
CC(C)C1=C(OCC(=O)NNC(=S)NC(=O)C=CC2=CC=C(F)C=C2)C=C(C)C=C1
InChIKey
InChIKey=IQHUTXISEJCYQE-UHFFFAOYSA-N
Formula
C22H24FN3O3S
Mass
429.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Cumenes Styrenes Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Fluorobenzenes Aryl fluorides Thiosemicarbazides Carboxylic acid hydrazides Organosulfur compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid or derivatives - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Styrene - Toluene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiosemicarbazide - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available