Compound Identification
SMILES
OC1=C(Cl)C=C(NC(=S)NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1Cl
InChIKey
InChIKey=XBYYALLCSKQMKC-UHFFFAOYSA-N
Formula
C14H9Cl2N3O4S
Mass
386.2
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
Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds O-chlorophenols Aryl chlorides Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic salts Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - 2-halophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Organic nitro compound - Thiourea - 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 - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic cation - 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