Compound Identification
SMILES
CCCC1=C(O)N(C(=O)C2=CC=CC=C2Cl)C(SCC[NH+](CC)CC)=NC1=O
InChIKey
InChIKey=RRMNSRMWIBWAON-UHFFFAOYSA-O
Formula
C20H27ClN3O3S
Mass
424.96
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
Halobenzoic acids and derivatives
Direct Parent
2-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Alkylarylthioethers Pyrimidones Chlorobenzenes Hydroxypyrimidines Aryl chlorides Hydropyrimidines Vinylogous halides Vinylogous amides Vinylogous acids Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Sulfenyl compounds Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Aryl thioether - Benzoyl - Pyrimidone - Alkylarylthioether - Halobenzene - Chlorobenzene - Hydroxypyrimidine - Hydropyrimidine - Pyrimidine - Aryl chloride - Aryl halide - Vinylogous amide - Vinylogous acid - Vinylogous halide - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available