Compound Identification
SMILES
CN1C=C(C=C2C(=O)NC(=S)N(C2=O)C2=CC=C(Cl)C=C2)C(C)=N1
InChIKey
InChIKey=XYXAHCNNNAJCIP-UHFFFAOYSA-N
Formula
C16H13ClN4O2S
Mass
360.82
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 Chlorobenzenes Diazinanes Aryl chlorides Pyrazoles Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-diazinane - Azole - Heteroaromatic compound - Pyrazole - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen 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