Compound Identification
SMILES
CCN(CC)CCOC(=O)C1=CC=C(NC(=S)NC2=C(Cl)C=C(Br)C=C2)C=C1
InChIKey
InChIKey=OBSWSWARXYSRTF-UHFFFAOYSA-N
Formula
C20H23BrClN3O2S
Mass
484.84
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 Benzoyl derivatives Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Trialkylamines Thioureas Carboxylic acid esters Amino acids and derivatives Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - N-phenylthiourea - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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