Compound Identification
SMILES
CC(C)C1=CC2=C(OC(=N2)C2=CC(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)=C(Cl)C=C2)C=C1
InChIKey
InChIKey=CCIBULTUCZZWEU-UHFFFAOYSA-N
Formula
C29H32ClN3O2S
Mass
522.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
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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-acyl-phenylthioureas
Alternative Parents
Phenyl-1,3-oxazoles Benzoxazoles Cumenes Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thioureas Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-phenylthiourea - Phenyl-1,3-oxazole - Benzoxazole - Cumene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Oxazole - Thiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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