Compound Identification
SMILES
CCN1C(SC2=CC=CC=C12)=C1SC(=S)N([C@@H](C)C2=CC=CC=C2)C1=O
InChIKey
InChIKey=JOPIUAVSCQEIAY-ZDUSSCGKSA-N
Formula
C20H18N2OS3
Mass
398.56
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
Aryl thioethers Vinylogous thioesters Thiazolidinethiones Benzene and substituted derivatives Vinylogous amides Thiazoles Cyclic dithiocarbamic acid esters Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Thiazole - Dithiocarbamic acid ester - Vinylogous amide - Thiazolidine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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