Compound Identification
SMILES
COC1=CC2=C(C=C1)N(CC#C)C(S2)=NC(=O)CSCC(=O)NC1CCCCC1
InChIKey
InChIKey=YCSBOZZCOFSICW-UHFFFAOYSA-N
Formula
C21H25N3O3S2
Mass
431.57
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
Anisoles Alkyl aryl ethers Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides N-acylimines Isothioureas Sulfenyl compounds Dialkylthioethers Azacyclic compounds Acetylides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Anisole - Alkyl aryl ether - Benzenoid - Azole - Thiazole - Heteroaromatic compound - N-acylimine - Carboxamide group - Secondary carboxylic acid amide - Isothiourea - Azacycle - Dialkylthioether - Acetylide - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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