Compound Identification
SMILES
COC1=CC=C(NC(=S)N(CCC2=CN=CN2CC2=CC=C(C=C2)C#N)CC2=CC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=GGCNDCVVOJLLCN-UHFFFAOYSA-N
Formula
C28H26ClN5OS
Mass
516.06
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
Methoxyanilines Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Chlorobenzenes Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Thioureas Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Benzonitrile - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - N-substituted imidazole - Aryl halide - Imidazole - Heteroaromatic compound - Azole - Thiourea - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen 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