Compound Identification
SMILES
CC1=CC=CC(=C1)C(=O)NC(=S)NC1=C(C=C(Br)C=C1)C(O)=O
InChIKey
InChIKey=BEUIFIYSWLBLRS-UHFFFAOYSA-N
Formula
C16H13BrN2O3S
Mass
393.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
-
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 m-Toluamides 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 - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - M-toluamide - Toluamide - Benzoic acid - Benzoyl - Toluene - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Thiourea - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen 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