Compound Identification
SMILES
CC1=NN(CC2=CC=CC=C2)C(C)=C1CNC(=S)NC1=C(C)C(Cl)=CC=C1
InChIKey
InChIKey=OSPICQKCUZCWTC-UHFFFAOYSA-N
Formula
C21H23ClN4S
Mass
398.95
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
Toluenes Chlorobenzenes Aryl chlorides Pyrazoles Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Chlorobenzene - Halobenzene - Toluene - Aryl halide - Aryl chloride - Pyrazole - Azole - Heteroaromatic compound - Thiourea - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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