Compound Identification
SMILES
CC(C)(C)CCN1[C@H](C(=O)\C(C1=O)=C1/NS(=O)(=O)C2=CC=CC=C12)C(C)(C)C
InChIKey
InChIKey=YNKWBMPPGQRQBA-WXWBBQJKSA-N
Formula
C21H28N2O4S
Mass
404.53
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
Pyrrolidine-3-ones Pyrrolidine-2-ones Organosulfonamides N-alkylpyrrolidines Benzenoids Vinylogous amides Tertiary carboxylic acid amides Tertiary amines Lactams Cyclic ketones Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2-benzothiazole - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Organosulfonic acid amide - Pyrrolidine - Vinylogous amide - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Organosulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - Cyclic ketone - Tertiary amine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - 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