Compound Identification
SMILES
CC1=CC=CC=C1NN=C1C(=O)N(C2=CC=CC=C2)C(=S)N(C1=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=PTVSNCWXBTVPJV-UHFFFAOYSA-N
Formula
C23H17ClN4O2S
Mass
448.93
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 Toluenes Chlorobenzenes Diazinanes Aryl chlorides Thioureas Hydrazones Carboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Phenylhydrazine - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - 1,3-diazinane - Thiourea - Hydrazone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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