Compound Identification
SMILES
CC1=CC(C)=C(NC(=S)NC(=O)C=CC2=CC=C(F)C=C2)C(=C1)[N+]([O-])=O
InChIKey
InChIKey=JKGIKZIECFLUSU-UHFFFAOYSA-N
Formula
C18H16FN3O3S
Mass
373.4
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 Nitrotoluenes Nitrobenzenes m-Xylenes Styrenes Nitroaromatic compounds Fluorobenzenes Aryl fluorides Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organofluorides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Nitrobenzene - Nitrotoluene - M-xylene - Xylene - Nitroaromatic compound - Styrene - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Organic nitro compound - C-nitro compound - Thiourea - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxygen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - 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