Compound Identification
SMILES
COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=SYDKSNAJGJDUIN-UHFFFAOYSA-N
Formula
C13H14ClN3O4S
Mass
343.78
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 Fatty acid methyl esters Chlorobenzenes N-acyl amines Aryl chlorides Vinylogous halides Thiosemicarbazides Methyl esters Carboxylic acid hydrazides Monocarboxylic acids and derivatives Organosulfur compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Fatty acid methyl ester - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - N-acyl-amine - Vinylogous halide - Methyl ester - Thiosemicarbazide - Carboxylic acid ester - Carboxylic acid hydrazide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic 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