Compound Identification
SMILES
CCOC(=O)CCC(=O)NC(=S)NC1=C(OC)C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=HEGMDKZTGLLVMQ-UHFFFAOYSA-N
Formula
C14H17N3O6S
Mass
355.37
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
Nitrophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Alkyl aryl ethers Fatty acid esters N-acyl amines Thioureas Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrophenyl ether - Nitrobenzene - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Nitroaromatic compound - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Fatty acyl - N-acyl-amine - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Thiourea - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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