Compound Identification
SMILES
OC1=C(Cl)C=C(C=C1NC(=S)NC(=O)C=CC1=CC=C(F)C=C1)[N+]([O-])=O
InChIKey
InChIKey=KDIRASANIASITL-UHFFFAOYSA-N
Formula
C16H11ClFN3O4S
Mass
395.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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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
Cinnamic acids and derivatives Nitrophenols Nitrobenzenes Nitroaromatic compounds Styrenes O-chlorophenols Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Thioureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic zwitterions Organic salts Organic oxides Carbonyl compounds Hydrocarbon derivatives Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Nitrophenol - Nitrobenzene - 2-chlorophenol - Nitroaromatic compound - Styrene - 2-halophenol - Phenol - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl chloride - Aryl halide - Thiourea - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organochloride - Aromatic homomonocyclic 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