Compound Identification
SMILES
ClC1=CC=CC(=C1)C(=O)NNC(=O)CC1=CSC(=N1)N1CCCC1=O
InChIKey
InChIKey=XQBPMMGXIXGHME-UHFFFAOYSA-N
Formula
C16H15ClN4O3S
Mass
378.83
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Chlorobenzenes 2,4-disubstituted thiazoles Pyrrolidine-2-ones Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzoyl - 2,4-disubstituted 1,3-thiazole - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 2-pyrrolidone - Pyrrolidone - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid hydrazide - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available