Compound Identification
SMILES
COC1=CC(OC)=C(Cl)C(NC(=S)NC2=CN=C(NC(=O)C3=CC=CC=N3)C=C2)=C1
InChIKey
InChIKey=GAHKEBSYVVJFOX-UHFFFAOYSA-N
Formula
C20H18ClN5O3S
Mass
443.91
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
Dimethoxybenzenes Pyridinecarboxamides Methoxyanilines Phenoxy compounds 2-heteroaryl carboxamides Anisoles Alkyl aryl ethers Chlorobenzenes Imidolactams Aryl chlorides Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Dimethoxybenzene - M-dimethoxybenzene - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Methoxyaniline - Anisole - 2-heteroaryl carboxamide - Phenol ether - Phenoxy compound - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Imidolactam - Pyridine - Aryl chloride - Heteroaromatic compound - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organohalogen compound - 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