Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=S)NC2=C(C=C(F)C=C2)[N+]([O-])=O)SC2=C1CCCC2

InChIKey

InChIKey=KAADRCWJESWAPS-UHFFFAOYSA-N

Formula

C17H16FN3O4S2

Mass

409.45

Export to:

JSON SDF CSV

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 heteropolycyclic compounds

Substituents

N-phenylthiourea - Nitrobenzene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Heteroaromatic compound - Thiophene - Methyl ester - Vinylogous amide - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Thiourea - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Organic salt - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic 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

Previous Back Next