Compound Identification
SMILES
COC(=O)C1=CC=C(NC(=S)NC(NC(=O)C2=CC(Br)=CC=C2)C(Cl)(Cl)Cl)C=C1
InChIKey
InChIKey=AVNFQZQFVKHCBC-UHFFFAOYSA-N
Formula
C18H15BrCl3N3O3S
Mass
539.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
3-halobenzoic acids and derivatives N-phenylthioureas Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Methyl esters Thioureas Secondary carboxylic acid amides Organochlorides Organobromides Organic oxides Organooxygen compounds Hydrocarbon derivatives Alkyl chlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - N-phenylthiourea - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Methyl ester - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen 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