Compound Identification
SMILES
COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=RUHBYMUTHJVUFP-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
4-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Fatty acid methyl esters Chlorobenzenes N-acyl amines Aryl chlorides 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
4-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Fatty acid methyl ester - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - N-acyl-amine - 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 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available