Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(NC(N)=S)=CC=C1)C(=O)OCC
InChIKey
InChIKey=PRJITIMPXNFOAP-UHFFFAOYSA-N
Formula
C20H25N3O4S
Mass
403.5
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
Dihydropyridinecarboxylic acids and derivatives Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Thioureas Enamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Dihydropyridinecarboxylic acid derivative - Dihydropyridine - Dicarboxylic acid or derivatives - Hydropyridine - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Thiourea - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Enamine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - 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