Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC1=C(C=C(Br)C=C1)C(O)=O
InChIKey
InChIKey=XVFIUTQBMHNLAU-UHFFFAOYSA-N
Formula
C18H17BrN2O3S
Mass
421.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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Subclass
N-phenylthioureas
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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
3-halobenzoic acids Aromatic monoterpenoids Monocyclic monoterpenoids Halobenzoic acids Phenylpropanes Benzoic acids Cumenes Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous amides Thioureas Carboxylic acids Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - P-cymene - Aromatic monoterpenoid - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Monocyclic monoterpenoid - Monoterpenoid - Benzoic acid or derivatives - Benzoic acid - Cumene - Phenylpropane - Benzoyl - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Vinylogous amide - Thiourea - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - 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