Structure Information
Structure

Compound Identification

SMILES

CC1=C(CN2CCCN(CC2)C(=S)NC2=C(Cl)C=C(Br)C=C2)C(C)=NO1

InChIKey

InChIKey=HPBQTIBBMKPIJM-UHFFFAOYSA-N

Formula

C18H22BrClN4OS

Mass

457.82

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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 - Azole - Isoxazole - Tertiary aliphatic amine - Thiourea - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organobromide - Organohalogen 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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