Compound Identification
SMILES
CC1=C(NC(=S)N2CCN(CC2)C(=O)C2COC3=CC=CC=C3O2)C=CC=C1Cl
InChIKey
InChIKey=WDJGYKPYQAWJKQ-UHFFFAOYSA-N
Formula
C21H22ClN3O3S
Mass
431.94
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
Benzo-1,4-dioxanes Toluenes Alkyl aryl ethers Chlorobenzenes Piperazines Para dioxins Aryl chlorides Tertiary carboxylic acid amides Thioureas Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - N-phenylthiourea - Alkyl aryl ether - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Para-dioxin - Tertiary carboxylic acid amide - Carboxamide group - Thiourea - Ether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organochloride - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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