Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)N(C(=S)N[C@@H]1C1=CC(OC)=C(O)C=C1)C1=C(C)C=CC(C)=C1

InChIKey

InChIKey=KQRAATRCFLAIDR-HXUWFJFHSA-N

Formula

C22H24N2O4S

Mass

412.5

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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

Methoxyphenol - N-phenylthiourea - Hydropyrimidine carboxylic acid derivative - Phenoxy compound - Anisole - P-xylene - Xylene - Methoxybenzene - Phenol ether - Alkyl aryl ether - 2-thiopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Thiopyrimidine - Phenol - Pyrimidinethione - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous amide - Methyl ester - Thiourea - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Ether - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen 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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