Compound Identification
SMILES
COC1=C(NC(=S)N(CC2=CC3=C(OCO3)C=C2)C2CCN(C)CC2)C=CC(Cl)=C1
InChIKey
InChIKey=BDRURRZGRWIJOZ-UHFFFAOYSA-N
Formula
C22H26ClN3O3S
Mass
447.98
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
Methoxyanilines Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Piperidines Aryl chlorides Trialkylamines Thioureas Acetals Oxacyclic compounds Azacyclic compounds Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - Benzodioxole - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Piperidine - Aryl chloride - Aryl halide - Tertiary aliphatic amine - Thiourea - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Acetal - Ether - Hydrocarbon derivative - Amine - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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