Compound Identification
SMILES
OC1=C(Cl)C=C(C=C1NC(=S)NC(=O)C1=CN=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=BTQYPSNWPIQTIJ-UHFFFAOYSA-N
Formula
C13H9ClN4O4S
Mass
352.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
N-phenylthioureas
- Level 5 N-acyl-phenylthioureas
-
Subclass
N-phenylthioureas
-
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
Nitrophenols Nicotinamides Nitrobenzenes O-chlorophenols Nitroaromatic compounds Chlorobenzenes Aryl chlorides Heteroaromatic compounds Thioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Nitrophenol - Pyridine carboxylic acid or derivatives - Nicotinamide - Nitrobenzene - 2-halophenol - Nitroaromatic compound - 2-chlorophenol - Halobenzene - Phenol - Chlorobenzene - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - C-nitro compound - Thiourea - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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