Compound Identification
SMILES
CCCC(=O)NC1=CC=C(NC(=S)NC(=O)C2=CC(=C(OCC)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=KZSUCVZXWCCZQB-UHFFFAOYSA-N
Formula
C20H22N4O5S
Mass
430.48
Taxonomic Classification
Taxonomy Tree
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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
Nitrophenyl ethers Anilides Benzoic acids and derivatives Phenoxy compounds Phenol ethers Nitroaromatic compounds N-arylamides Benzoyl derivatives Alkyl aryl ethers Fatty amides Thioureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrophenyl ether - Benzoic acid or derivatives - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - N-arylamide - Alkyl aryl ether - Fatty amide - Fatty acyl - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Thiourea - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic salt - 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