Compound Identification
SMILES
CCCC(=O)SC1=NN=C(NC(=S)NC2=CC=C(Cl)C=C2)S1
InChIKey
InChIKey=UPAUZTBMQUNKDT-UHFFFAOYSA-N
Formula
C13H13ClN4OS3
Mass
372.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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-phenylthioureas
Alternative Parents
Aryl thioethers Chlorobenzenes Fatty acyl thioesters Aryl chlorides Thiadiazoles Heteroaromatic compounds Thioureas Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylthiourea - Aryl thioether - Chlorobenzene - Halobenzene - Fatty acyl thioester - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiadiazole - Thiourea - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors
Not available