Compound Identification
SMILES
CC1=CC(OCC(=O)NC(=S)NC2=C(Br)C=C(Br)C=C2C(O)=O)=CC(C)=C1
InChIKey
InChIKey=UFMBGNXQRKBVRB-UHFFFAOYSA-N
Formula
C18H16Br2N2O4S
Mass
516.2
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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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 Halobenzoic acids Benzoic acids m-Xylenes Benzoyl derivatives Phenol ethers Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Vinylogous amides Thioureas Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds
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 - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - M-xylene - Xylene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Thiourea - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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