Compound Identification
SMILES
COC(=O)C1=C(Cl)C2=C(S1)C=C(NC(=S)NC1=CC(OCC(F)(F)C(F)F)=CC(OCC(F)(F)F)=C1)C=C2
InChIKey
InChIKey=JQONIIHJBSLSQL-UHFFFAOYSA-N
Formula
C22H16ClF7N2O4S2
Mass
604.94
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
1-benzothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Methyl esters Thioureas Alkyl fluorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylthiourea - 1-benzothiophene - Benzothiophene - Phenoxy compound - Thiophene carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Methyl ester - Thiophene - Carboxylic acid ester - Thiourea - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organochloride - Organohalogen compound - Organosulfur compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - 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