Structure Information
Structure

Compound Identification

SMILES

CC1=C(Br)C=CC(NC(=S)N2COCC2(C)C)=C1

InChIKey

InChIKey=NJKILQWYDNAYBN-UHFFFAOYSA-N

Formula

C13H17BrN2OS

Mass

329.26

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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 - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Oxazolidine - Thiourea - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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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