Compound Identification
SMILES
ClC1=C(Cl)C=C(CNC2=CC3=C(SC(N3)=C3C=CC(=O)C=C3)C=C2)C=C1
InChIKey
InChIKey=MRELBVZVUXDWOJ-UHFFFAOYSA-N
Formula
C20H14Cl2N2OS
Mass
401.31
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
Phenylmethylamines P-quinomethanes Dichlorobenzenes Benzylamines Aryl thioethers Secondary alkylarylamines Aralkylamines Aryl chlorides Thiazoles Ketene acetals Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 1,2-benzothiazole - Benzo-thiazole - 1,2-dichlorobenzene - Benzylamine - Quinomethane - Phenylmethylamine - P-quinomethane - Aryl thioether - Chlorobenzene - Aralkylamine - Halobenzene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Thiazole - Cyclic ketone - Ketene acetal or derivatives - Ketone - Secondary amine - Azacycle - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen 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