Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=S)N(CCN2CCOCC2)CC2=CN=CC=C2)C=CC(C)=C1

InChIKey

InChIKey=MJPVFKZUDAHNPL-UHFFFAOYSA-N

Formula

C21H28N4O2S

Mass

400.54

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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 - Toluene - Morpholine - Oxazinane - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Thiourea - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen 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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