Compound Identification
SMILES
CC(C)NC(=O)CNC(=O)C1=C(SC(=O)C2=CN=CC=C2)C=CC(F)=C1
InChIKey
InChIKey=PNGQUJXUSJVOMU-UHFFFAOYSA-N
Formula
C18H18FN3O3S
Mass
375.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
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
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides 3-halobenzoic acids and derivatives O-sulfanylbenzoic acids and derivatives Pyridinecarboxylic acids and derivatives Aryl thioethers Benzoyl derivatives Fluorobenzenes Aryl fluorides Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Aryl thioether - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carbothioic s-ester - Thiocarboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available