Compound Identification
SMILES
COC1=CC(OC)=C(CN(CCCN2C=CN=C2)C(=S)NC2=CC=CC=C2Cl)C=C1
InChIKey
InChIKey=CGSIUSZCHQIHKR-UHFFFAOYSA-N
Formula
C22H25ClN4O2S
Mass
444.98
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 Phenoxy compounds Anisoles Chlorobenzenes Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Dimethoxybenzene - M-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - N-substituted imidazole - Aryl halide - Imidazole - Azole - Heteroaromatic compound - Thiourea - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen 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