Structure Information
Structure

Compound Identification

SMILES

OC1=C(Cl)C=C(C=C1NC(=S)NC(=O)C1=CN=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=BTQYPSNWPIQTIJ-UHFFFAOYSA-N

Formula

C13H9ClN4O4S

Mass

352.75

Export to:

JSON SDF CSV

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 heteromonocyclic compounds

Substituents

N-acyl-phenylthiourea - Nitrophenol - Pyridine carboxylic acid or derivatives - Nicotinamide - Nitrobenzene - 2-halophenol - Nitroaromatic compound - 2-chlorophenol - Halobenzene - Phenol - Chlorobenzene - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - C-nitro compound - Thiourea - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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

Previous Back Next