Compound Identification
SMILES
COC1=C(NC(=S)N(CCN2CCCCCC2)CC2=CC=CO2)C=C(C)C(Cl)=C1
InChIKey
InChIKey=IZZPQSUMEZHOTB-UHFFFAOYSA-N
Formula
C22H30ClN3O2S
Mass
436.01
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 Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Chlorobenzenes Azepanes Aryl chlorides Heteroaromatic compounds Furans Trialkylamines Thioureas Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Azepane - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Tertiary aliphatic amine - Thiourea - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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