Compound Identification
SMILES
NC(=O)C1=C([C@@H](CSCC2=CC=CC=C2)C(=O)NCC#N)C(NC(=O)NC2=NN=CS2)=CC=C1
InChIKey
InChIKey=PRSMSBLKGUPRRU-MRXNPFEDSA-N
Formula
C22H21N7O3S2
Mass
495.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
-
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
Phenylacetamides Benzamides 1,3,4-thiadiazol-2-ylureas Benzoyl derivatives Heteroaromatic compounds Ureas Secondary carboxylic acid amides Primary carboxylic acid amides Sulfenyl compounds Nitriles Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Phenylacetamide - 1,3,4-thiadiazol-2-ylurea - Benzamide - Benzoic acid or derivatives - Benzoyl - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Cyanide - 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-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