Compound Identification
SMILES
CC1=C(NC(=O)CSC2=NC3=C(S2)C=CC(Cl)=C3)C=CC(I)=C1
InChIKey
InChIKey=PQKBYJHBOCCVHI-UHFFFAOYSA-N
Formula
C16H12ClIN2OS2
Mass
474.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
Anilides N-arylamides Toluenes Alkylarylthioethers Iodobenzenes Aryl chlorides Aryl iodides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Organopnictogen compounds Organochlorides Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Anilide - Aryl thioether - N-arylamide - Alkylarylthioether - Halobenzene - Toluene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organoiodide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available