Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=S)N(CC2=CC=C(Br)C=C2)CC2=CN=CC=C2)C=CC(C)=C1

InChIKey

InChIKey=ULAZDFSXIVJYGI-UHFFFAOYSA-N

Formula

C22H22BrN3OS

Mass

456.4

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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 - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Thiourea - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen 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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