Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC(NC(=S)N(CCC2=CN=CN2CC2=CC=C(C=C2)C#N)CC2=C(Cl)C(Cl)=CC=C2)=C1

InChIKey

InChIKey=HHFNJEUKXIYBGM-UHFFFAOYSA-N

Formula

C27H22Cl3N5S

Mass

554.92

Export to:

JSON SDF CSV

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 - Benzonitrile - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiourea - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Cyanide - Hydrocarbon derivative - 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

Previous Back Next