Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)N1C(=S)NC(=O)\C(=C/NC(CCS(C)(=O)=O)C(O)=O)C1=O

InChIKey

InChIKey=WTYHFSQUQQGAGB-FMIVXFBMSA-N

Formula

C17H19N3O6S2

Mass

425.47

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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

Alpha-amino acid - Alpha-amino acid or derivatives - N-phenylthiourea - Thiobarbiturate - Toluene - Thia fatty acid - 1,3-diazinane - Fatty acyl - Sulfone - Sulfonyl - Vinylogous amide - Amino acid or derivatives - Amino acid - Thiourea - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Allylamine - Enamine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Amine - 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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