Compound Identification
SMILES
CC1=CC(NC(=S)NC(=O)C2=CC(OCC3=CC=CC=C3)=CC=C2)=CC(=C2NC3=CC=CC=C3S2)C1=O
InChIKey
InChIKey=GOBWPHRDBCRVQJ-UHFFFAOYSA-N
Formula
C29H23N3O3S2
Mass
525.64
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
Benzoic acids and derivatives Aryl thioethers Benzoyl derivatives O-quinomethanes Phenol ethers Phenoxy compounds Alkyl aryl ethers Vinylogous thioesters Thiazoles Vinylogous amides Ketene acetals Thioureas Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Phenoxy compound - Aryl thioether - Benzoyl - O-quinomethane - Phenol ether - Quinomethane - Alkyl aryl ether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Vinylogous amide - Thiazole - Cyclic ketone - Ketene acetal or derivatives - Ketone - Thiourea - Ether - Carboxylic acid derivative - Azacycle - Organosulfur compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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