Compound Identification
SMILES
CC1=C(C(NC(=S)N1C1=CC=CC(=C1)C(F)(F)F)C1=CC=C(C=C1)C#N)C(N)=O
InChIKey
InChIKey=WHVXSFAZGZWOEA-UHFFFAOYSA-N
Formula
C20H15F3N4OS
Mass
416.42
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 Benzonitriles 2-Thiopyrimidines Pyrimidinethiones Hydropyrimidines Vinylogous amides Primary carboxylic acid amides Amino acids and derivatives Tertiary amines Thioureas Nitriles Azacyclic compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - N-phenylthiourea - Benzonitrile - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Thiourea - Tertiary amine - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Cyanide - Carbonyl group - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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