Compound Identification
SMILES
CCN(CC)C1=CC=C(C=C2C(=O)NC(=S)N(C2=O)C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=XCCDPJCSSHMRJE-UHFFFAOYSA-N
Formula
C21H20FN3O2S
Mass
397.47
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
Thiobarbituric acid derivatives Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Diazinanes Aryl fluorides Thioureas Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,3-diazinane - Tertiary amine - Thiourea - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Amine - 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