Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](NC(=S)NC1=CC=CC(=C1)C([O-])=O)C(Cl)(Cl)Cl

InChIKey

InChIKey=IEIHTIDGUMPXQR-MRXNPFEDSA-M

Formula

C18H15Cl3N3O3S

Mass

459.75

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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 homomonocyclic compounds

Substituents

N-phenylthiourea - Benzamide - Benzoic acid or derivatives - Benzoic acid - M-toluamide - Toluamide - Benzoyl - Toluene - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Alkyl chloride - Alkyl halide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic anion - Aromatic homomonocyclic 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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