Structure Information
Structure

Compound Identification

SMILES

NC(=O)CN1C=C(C=C2C(=O)NC(=S)N(C2=O)C2=CC=C(Cl)C=C2)C2=CC=CC=C12

InChIKey

InChIKey=MQESVMJQAYOVFK-UHFFFAOYSA-N

Formula

C21H15ClN4O3S

Mass

438.89

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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 heteropolycyclic compounds

Substituents

N-alkylindole - N-phenylthiourea - Thiobarbiturate - Indole - Indole or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-diazinane - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Thiourea - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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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