Compound Identification
SMILES
OC(=O)C1=C(NC(=S)NC(=O)C=CC2=CC(=C(Cl)C=C2)[N+]([O-])=O)C=CC(Cl)=C1
InChIKey
InChIKey=DLAJSEYPUIEINM-UHFFFAOYSA-N
Formula
C17H11Cl2N3O5S
Mass
440.25
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
-
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 3-halobenzoic acids Halobenzoic acids Benzoic acids Nitrobenzenes Styrenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl chlorides Vinylogous amides Thioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organochlorides Organonitrogen compounds Carbonyl compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Nitrobenzene - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Nitroaromatic compound - Styrene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Thiourea - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - 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