Compound Identification
SMILES
BrC1=CC(I)=C(NC(=S)NC(=O)C2=CC(I)=CC=C2)C=C1
InChIKey
InChIKey=WATKADACJHTCLH-UHFFFAOYSA-N
Formula
C14H9BrI2N2OS
Mass
587.01
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
3-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes Bromobenzenes N-acyl amines Vinyl iodides Vinyl bromides Iodoalkenes Carboxylic acids and derivatives Bromoalkenes Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organoiodides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Iodobenzene - Halobenzene - Bromobenzene - N-acyl-amine - Iodoalkene - Bromoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl bromide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - 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