Compound Identification
SMILES
NC(=O)C1=C(NC(=O)C2=CC=C(S2)[N+]([O-])=O)SC2=C1CCN(C2)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=KBGOGNLLHWKIHU-UHFFFAOYSA-N
Formula
C20H16N6O7S2
Mass
516.5
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
Thienopyridines 2-nitrothiophenes Nitrobenzenes Thiophene carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds 2,5-disubstituted thiophenes Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-phenylurea - Thienopyridine - 2-nitrothiophene - Nitrothiophene - Nitrobenzene - 2-heteroaryl carboxamide - Nitroaromatic compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Thiophene - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Urea - Primary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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