Compound Identification
SMILES
CCC(=NNC(=O)CSC1=N[NH+]=C(SCC2=CC=CC=C2Cl)S1)C1=CC=C([O-])C=C1
InChIKey
InChIKey=OMRVDRXAXNJPQI-UHFFFAOYSA-N
Formula
C20H19ClN4O2S3
Mass
479.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Phenoxides Alkylarylthioethers Chlorobenzenes Aryl chlorides Thiadiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpropane - Aryl thioether - Chlorobenzene - Halobenzene - Phenoxide - Alkylarylthioether - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Thiadiazole - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Not available