Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=CC=C1NC(=S)N1CCCN(CC2=CC=C(C=C2)S(C)(=O)=O)CC1

InChIKey

InChIKey=GCDNLMXFAMTDMO-UHFFFAOYSA-N

Formula

C21H27N3O2S3

Mass

449.65

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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 heteromonocyclic compounds

Substituents

N-phenylthiourea - Benzenesulfonyl group - Aryl thioether - Benzylamine - Phenylmethylamine - Thiophenol ether - 1,4-diazepane - Diazepane - Aralkylamine - Alkylarylthioether - Sulfone - Sulfonyl - Tertiary amine - Thiourea - Tertiary aliphatic amine - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Thioether - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic 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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