Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC1=CC=CC=C1N1CCN(CC1)S(C)(=O)=O)[N+]([O-])=O

InChIKey

InChIKey=WELRKSCCXKTOSB-UHFFFAOYSA-N

Formula

C20H23N5O6S2

Mass

493.55

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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 - Phenylpiperazine - N-arylpiperazine - Nitrophenyl ether - Benzoic acid or derivatives - Nitrobenzene - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Nitroaromatic compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - 1,4-diazinane - Organosulfonic acid amide - Organic sulfonic acid amide - Piperazine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Thiourea - Tertiary amine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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

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