Compound Identification
SMILES
CCCC(=O)NC1=CC(NC(=S)NC(=O)C2=C(C)C(=CC=C2)[N+]([O-])=O)=C(Cl)C=C1
InChIKey
InChIKey=KVAKCYCRMAAXLH-UHFFFAOYSA-N
Formula
C19H19ClN4O4S
Mass
434.9
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
o-Toluamides Anilides Benzoic acids and derivatives Nitrobenzenes Nitrotoluenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Chlorobenzenes Fatty amides Aryl chlorides Thioureas Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-phenylthiourea - Benzoic acid or derivatives - O-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - Anilide - Nitroaromatic compound - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - Toluene - Fatty acyl - Aryl halide - Fatty amide - Aryl chloride - Organic nitro compound - Thiourea - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic salt - Aromatic homomonocyclic 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