Compound Identification
SMILES
ClC1=CC=CC(NC(=S)N(CCC2=CN=CN2CC2=CC=C(C=C2)C#N)CC2=C(Cl)C(Cl)=CC=C2)=C1
InChIKey
InChIKey=HHFNJEUKXIYBGM-UHFFFAOYSA-N
Formula
C27H22Cl3N5S
Mass
554.92
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
Dichlorobenzenes Benzonitriles N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Thioureas Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Benzonitrile - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiourea - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Cyanide - 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