Structure Information
Structure

Compound Identification

SMILES

ClC1=C(NC(=S)N2CCCN(CC3=CSC=C3)CC2)C=CC(Br)=C1

InChIKey

InChIKey=COINJEYWXNXBFK-UHFFFAOYSA-N

Formula

C17H19BrClN3S2

Mass

444.83

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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 - 1,4-diazepane - Aralkylamine - Bromobenzene - Chlorobenzene - Diazepane - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Thiourea - Tertiary amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - 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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