Compound Identification
SMILES
CC(=O)NCCNC1=NC(=NC(NCCNC(=O)C2=CC=C(NC(N)=S)C=C2)=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=SLAPDWCNCZEQHB-UHFFFAOYSA-N
Formula
C24H27ClN8O2S
Mass
527.04
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
Benzamides Benzoyl derivatives Aminopyrimidines and derivatives Chlorobenzenes Imidolactams Aryl chlorides Acetamides Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides Amines Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Benzamide - Benzoic acid or derivatives - Benzoyl - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Acetamide - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - 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