Compound Identification
SMILES
COC1=C(C=C(Br)C=C1)C(=O)NC(=S)NC1=C(C=C(I)C=C1)C(O)=O
InChIKey
InChIKey=QPRJEBSCCKTHQW-UHFFFAOYSA-N
Formula
C16H12BrIN2O4S
Mass
535.15
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 Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Iodobenzenes Aryl iodides Aryl bromides Vinylogous amides Thioureas Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organoiodides Organonitrogen compounds Organopnictogen compounds Organobromides Organic oxides
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 - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Aryl bromide - Vinylogous amide - Thiourea - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoiodide - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organosulfur compound - Hydrocarbon derivative - Organooxygen 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