Compound Identification
SMILES
CCOC(=O)NC(=S)NC1=CC=CC=C1[N+](CC1=CC=CC=C1)(NC)C(C)=O
InChIKey
InChIKey=LRMMEXFZHDCGQP-UHFFFAOYSA-O
Formula
C20H25N4O3S
Mass
401.5
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
Acetanilides Phenylhydrazines Carbamate esters Thioureas Carboxylic acid hydrazides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acetanilide - N-phenylthiourea - Phenylhydrazine - Carbamic acid ester - Carboxylic acid hydrazide - Thiourea - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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