Compound Identification
SMILES
CC1=CC(C)=C(N2C(=S)NC(=O)C(=CNCC3=CC=CC=C3)C2=O)C(C)=C1
InChIKey
InChIKey=RYULGKOGIBRSME-UHFFFAOYSA-N
Formula
C21H21N3O2S
Mass
379.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylthioureas
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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
Thiobarbituric acid derivatives Phenylmethylamines Benzylamines Aralkylamines Diazinanes Vinylogous amides Thioureas Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Allylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Thiobarbiturate - Benzylamine - Phenylmethylamine - Aralkylamine - 1,3-diazinane - Vinylogous amide - Amino acid or derivatives - Thiourea - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Secondary amine - Allylamine - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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