Compound Identification
SMILES
CCC1=NN=C(NS(=O)(=O)C2=CC=C(NC(=S)NC(=O)C=CC3=CC=C(F)C=C3)C=C2)S1
InChIKey
InChIKey=SYSMVOANBVDZNG-UHFFFAOYSA-N
Formula
C20H18FN5O3S3
Mass
491.57
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
Cinnamic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Styrenes Fluorobenzenes Aryl fluorides Organosulfonamides Aminosulfonyl compounds Thiadiazoles Heteroaromatic compounds Thioureas Carboxylic acids and derivatives Azacyclic compounds Organofluorides Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-phenylthiourea - Cinnamic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Styrene - Fluorobenzene - Halobenzene - Organosulfonic acid amide - Aryl halide - Aryl fluoride - Heteroaromatic compound - Aminosulfonyl compound - Thiadiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Thiourea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organofluoride - Organonitrogen 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