Structure Information
Structure

Compound Identification

SMILES

CC1=C(Cl)C=C(C=C1)N1C(=S)NC(=O)C(=CC2=CC=C(CN(CCC#N)S(C)(=O)=O)O2)C1=O

InChIKey

InChIKey=ZEQVJIAYUGJEQU-UHFFFAOYSA-N

Formula

C21H19ClN4O5S2

Mass

506.98

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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 - Thiobarbiturate - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - 1,3-diazinane - Organic sulfonic acid amide - Organosulfonic acid amide - Furan - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Thiourea - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Cyanide - Organohalogen compound - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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