Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC(=S)N(CCC2=CN=CN2CC2=CC=C(C=C2)C#N)CC2=CC(Cl)=CC=C2)C=C1

InChIKey

InChIKey=GGCNDCVVOJLLCN-UHFFFAOYSA-N

Formula

C28H26ClN5OS

Mass

516.06

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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 - Phenol ether - Benzonitrile - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - N-substituted imidazole - Aryl halide - Imidazole - Heteroaromatic compound - Azole - Thiourea - Azacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen 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

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