Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C(CN(CCCN2C=CN=C2)C(=S)NC2=CC=CC=C2Cl)C=C1

InChIKey

InChIKey=CGSIUSZCHQIHKR-UHFFFAOYSA-N

Formula

C22H25ClN4O2S

Mass

444.98

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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 - Dimethoxybenzene - M-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - N-substituted imidazole - Aryl halide - Imidazole - Azole - Heteroaromatic compound - Thiourea - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - 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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