Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)N(C(=S)N[C@H]1C1=CC(=C([O-])C=C1)[N+]([O-])=O)C1=CC=CC(C)=C1

InChIKey

InChIKey=VFXAVFJLLAWOFQ-SFHVURJKSA-M

Formula

C20H18N3O5S

Mass

412.44

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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 - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Phenoxide - Pyrimidinethione - Toluene - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Thiourea - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - 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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