Structure Information
Structure

Compound Identification

SMILES

CC1=C(I)C=C(C=C1)C(=O)NC(=S)NC1=C(C)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=AASNJUQXTRGFQO-UHFFFAOYSA-N

Formula

C16H14IN3O3S

Mass

455.27

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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-acyl-phenylthioureas

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-phenylthiourea - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - P-toluamide - Toluamide - Nitrotoluene - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Toluene - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Organic nitro compound - Thiourea - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - 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

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