Structure Information
Structure

Compound Identification

SMILES

CCCCCCOC1=CC=C(NC(=S)NC(NC(=O)C2=CC(=CC=C2)[N+]([O-])=O)C(Cl)(Cl)Cl)C=C1

InChIKey

InChIKey=JHPMWSNCZYKEMD-UHFFFAOYSA-N

Formula

C22H25Cl3N4O4S

Mass

547.88

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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 - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Organic nitro compound - Carboxamide group - C-nitro compound - Thiourea - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl chloride - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur 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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