Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C(NC(=O)C2=CC=C(S2)[N+]([O-])=O)SC2=C1CCN(C2)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=KBGOGNLLHWKIHU-UHFFFAOYSA-N

Formula

C20H16N6O7S2

Mass

516.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylureas

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-phenylurea - Thienopyridine - 2-nitrothiophene - Nitrothiophene - Nitrobenzene - 2-heteroaryl carboxamide - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Thiophene - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Urea - Primary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

External Descriptors

Not available

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