Compound Identification
SMILES
OCC1C[C@@H](C[C@@]1(NC(=S)NC(=O)C1=CC=CC=C1)C1=CC=CC=C1F)OCC1=CC(F)=C(F)C=C1
InChIKey
InChIKey=KUEGGZMIMRPAPN-GQLBPIDVSA-N
Formula
C27H25F3N2O3S
Mass
514.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Benzylethers Benzoyl derivatives Fluorobenzenes Aryl fluorides Thioureas Dialkyl ethers Carboxylic acids and derivatives Primary alcohols Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzylether - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Thiourea - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available