Compound Identification
SMILES
CCCCC(=O)NC1=CC(NC(=S)NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)=CC=C1
InChIKey
InChIKey=QRYTVCCBMAUKIH-UHFFFAOYSA-N
Formula
C19H20N4O4S
Mass
400.45
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
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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
Anilides Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Fatty amides Thioureas Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzoic acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - Benzoyl - N-arylamide - Fatty amide - Fatty acyl - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Thiourea - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen 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