Compound Identification
SMILES
O[N+](=O)C1=CC=C(NC(=S)NC2=CC=C(C=C2)[N+](O)=O)C=C1
InChIKey
InChIKey=JSKSOXXEMNIBEL-UHFFFAOYSA-O
Formula
C13H12N4O4S
Mass
320.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylthioureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylthioureas
Alternative Parents
Nitrobenzenes Thioureas Organic nitro compounds Organic oxoazanium compounds N-organohydroxylamines Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-phenylthiourea - Nitrobenzene - Organic nitro compound - Thiourea - N-organohydroxylamine - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic cation - 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