Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)NC(NC(=S)NC1=CC=C(Br)C=C1)C(Cl)(Cl)Cl
InChIKey
InChIKey=TWCIDEFZBNKJOU-UHFFFAOYSA-N
Formula
C16H12BrCl4N3OS
Mass
516.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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-phenylthioureas
Alternative Parents
4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Thioureas Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Alkyl chlorides Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Alkyl halide - Alkyl chloride - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available