Compound Identification
SMILES
ClC1=CC=CC=C1N1C(=O)C(=NNC2=CC=C(Br)C=C2)C(=O)N(C2=CC=CC=C2)C1=S
InChIKey
InChIKey=HJZFGTXPEURPHD-UHFFFAOYSA-N
Formula
C22H14BrClN4O2S
Mass
513.79
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
Thiobarbituric acid derivatives Phenylhydrazines Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Diazinanes Thioureas Azacyclic compounds Hydrazones Carboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Phenylhydrazine - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - 1,3-diazinane - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrazone - Organooxygen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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