Compound Identification
SMILES
CC1=CC=CC=C1CN(C1CC(C)(C)NC(C)(C)C1)C(=S)NC1=C(C=C(Cl)C=C1)C(F)(F)F
InChIKey
InChIKey=HDLRBSFUZHRNEK-UHFFFAOYSA-N
Formula
C25H31ClF3N3S
Mass
498.05
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
Trifluoromethylbenzenes Toluenes Chlorobenzenes Piperidines Aryl chlorides Thioureas Tertiary amines Dialkylamines Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - N-phenylthiourea - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Piperidine - Thiourea - Tertiary amine - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Secondary amine - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - 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