Compound Identification
SMILES
CN1C(C=C2C(=O)NC(=S)N(C2=O)C2=CC=CC(=C2)C(F)(F)F)=CC2=CC=CC=C12
InChIKey
InChIKey=XVYGQSXUKIVGNV-UHFFFAOYSA-N
Formula
C21H14F3N3O2S
Mass
429.42
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 N-alkylindoles Indoles Thiobarbituric acid derivatives Diazinanes N-methylpyrroles Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - N-alkylindole - N-phenylthiourea - Indole - Indole or derivatives - Thiobarbiturate - 1,3-diazinane - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur 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