Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)SC1=NN=C(NC(=S)NC2=CC=C(Cl)C=C2)S1

InChIKey

InChIKey=UPAUZTBMQUNKDT-UHFFFAOYSA-N

Formula

C13H13ClN4OS3

Mass

372.9

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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 - Aryl thioether - Chlorobenzene - Halobenzene - Fatty acyl thioester - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiadiazole - Thiourea - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur 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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