Compound Identification
SMILES
CCCCOC(=O)C1=CC=C(NC(=S)NC(NC(=O)C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl)C=C1
InChIKey
InChIKey=JXNCHEMLMYXMPF-UHFFFAOYSA-N
Formula
C21H21Cl4N3O3S
Mass
537.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
N-phenylthioureas 4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Thioureas Secondary carboxylic acid amides Carboxylic acid esters Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - N-phenylthiourea - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Organic nitrogen compound - Alkyl halide - Organosulfur compound - Organohalogen compound - Alkyl chloride - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available