Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(NC(=S)NC(NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C(Cl)(Cl)Cl)C=C1

InChIKey

InChIKey=DOIZFERRTLBQNM-UHFFFAOYSA-N

Formula

C16H12Cl3N5O5S

Mass

492.71

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylthioureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylthioureas

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-phenylthiourea - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Thiourea - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Organic salt - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic zwitterion - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.

External Descriptors

Not available

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