Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC1=C(C=C(Br)C=C1)C(O)=O
InChIKey
InChIKey=CSEDOCQNDPMCCQ-UHFFFAOYSA-N
Formula
C19H19BrN2O3S
Mass
435.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-acyl-phenylthioureas
Alternative Parents
Halobenzoic acids 3-halobenzoic acids Phenylpropanes Benzoic acids Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous amides Thioureas Carboxylic acids Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Thiourea - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available