Compound Identification
SMILES
FC1=C(Cl)C=C(NC(=S)N2CCN(CC2)C(=O)C2COC3=CC=CC=C3O2)C=C1
InChIKey
InChIKey=HECQMHUWJXLSRS-UHFFFAOYSA-N
Formula
C20H19ClFN3O3S
Mass
435.9
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 Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Piperazines Para dioxins Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Thioureas Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organochlorides Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - Benzodioxane - N-phenylthiourea - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Para-dioxin - Tertiary carboxylic acid amide - Carboxamide group - Thiourea - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organofluoride - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - 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