Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=NNC(=O)CC2=NN=C(NC(=O)NC3=CC=CC=C3)S2)C=C1
InChIKey
InChIKey=HNGCCWBVRCHUEB-UHFFFAOYSA-N
Formula
C18H15N7O4S
Mass
425.42
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
Nitrobenzenes 1,3,4-thiadiazol-2-ylureas Nitroaromatic compounds Heteroaromatic compounds Ureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - 1,3,4-thiadiazol-2-ylurea - Nitrobenzene - Nitroaromatic compound - Azole - Heteroaromatic compound - Thiadiazole - C-nitro compound - Organic nitro compound - Urea - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - 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