Compound Identification
SMILES
CC1=C(NC(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C23)C=CC=C1Cl
InChIKey
InChIKey=CCSWSMRCNPGOOM-UHFFFAOYSA-N
Formula
C21H17ClN2OS
Mass
380.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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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-acyl-phenylthioureas
Alternative Parents
Cinnamic acids and derivatives Naphthalenes Styrenes Toluenes Chlorobenzenes Aryl chlorides Thioureas Carboxylic acids and derivatives Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Naphthalene - Styrene - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Thiourea - Carboxylic acid derivative - Organochloride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated.
External Descriptors
Not available