Compound Identification
SMILES
ClC1=CC=CC=C1C(=O)NNC(=O)C1=CSC(=N1)C1CCN(CC1)C(=O)C1CCCCC1
InChIKey
InChIKey=RRKABACXUKIYME-UHFFFAOYSA-N
Formula
C23H27ClN4O3S
Mass
475.0
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
N-acylpiperidines Thiazolecarboxamides Benzoyl derivatives 2,4-disubstituted thiazoles Chlorobenzenes Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - N-acyl-piperidine - Benzoyl - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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