Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)NC(NC(=S)NC1=CC=C(C=C1)[N+]([O-])=O)C(Cl)(Cl)Cl

InChIKey

InChIKey=ADOHRBVCQGCXAQ-UHFFFAOYSA-N

Formula

C12H13Cl3N4O4S

Mass

415.67

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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 - Nitrobenzene - Nitroaromatic compound - Carbamic acid ester - C-nitro compound - Thiourea - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organic oxide - Alkyl halide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alkyl chloride - Organic nitrogen compound - Carbonyl group - Organic cation - 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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