Compound Identification
SMILES
CC1=C(C)C=C(C=C1)C1=CC=C(O1)C(=O)NC(=S)NC1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=AESFANHEUWUPIR-UHFFFAOYSA-N
Formula
C21H17F3N2O2S
Mass
418.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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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-acyl-phenylthioureas
Alternative Parents
Trifluoromethylbenzenes o-Xylenes Furoic acid and derivatives Heteroaromatic compounds Thioureas Oxacyclic compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Trifluoromethylbenzene - Furoic acid or derivatives - O-xylene - Xylene - Furan - Heteroaromatic compound - Thiourea - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available