Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC#N)C=CC(C=C2C(=O)NC(=S)N(C2=O)C2=C(C)C=C(C)C=C2)=C1

InChIKey

InChIKey=RHWJLNQGVFSJGT-UHFFFAOYSA-N

Formula

C22H19N3O4S

Mass

421.47

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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 - Thiobarbiturate - Phenoxy compound - Anisole - M-xylene - Xylene - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1,3-diazinane - Thiourea - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - 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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