Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(=C1)C(=O)NC(=S)NC1=CC=C(C[NH+]2CCOCC2)C=C1

InChIKey

InChIKey=VPSPIGPJZMEBAB-UHFFFAOYSA-O

Formula

C19H21N4O4S

Mass

401.46

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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 heteromonocyclic compounds

Substituents

N-acyl-phenylthiourea - Benzoic acid or derivatives - Nitrobenzene - Phenylmethylamine - Nitroaromatic compound - Benzoyl - Benzylamine - Aralkylamine - Morpholine - Oxazinane - Quaternary ammonium salt - Amino acid or derivatives - C-nitro compound - Tertiary aliphatic amine - Thiourea - Tertiary amine - Organic nitro compound - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - 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

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