Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(C=C1)N=C(NC(=S)N1CCOCC1)S2
InChIKey
InChIKey=LDZGXDOENCPAEX-UHFFFAOYSA-N
Formula
C12H12N4O3S2
Mass
324.37
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
Nitroaromatic compounds Benzenoids Morpholines Thiazoles Heteroaromatic compounds Thioureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Organic salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - Nitroaromatic compound - Morpholine - Oxazinane - Benzenoid - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Thiourea - Dialkyl ether - Ether - Organic oxoazanium - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic oxygen 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