Compound Identification
SMILES
CC(C)(C)C1=CC(C(=O)N2CCS(=O)(=O)CC2)=C(NC(=O)NC2=C(Cl)C=C(C=C2)C#N)S1
InChIKey
InChIKey=JOFOEPZYJPTIHZ-UHFFFAOYSA-N
Formula
C21H23ClN4O4S2
Mass
495.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
Thiophene carboxamides 2,3,5-trisubstituted thiophenes Benzonitriles Chlorobenzenes Thiomorpholines Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Ureas Azacyclic compounds Nitriles Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Benzonitrile - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-thiazinane - Heteroaromatic compound - Sulfone - Tertiary carboxylic acid amide - Vinylogous amide - Thiophene - Urea - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
External Descriptors
Not available