Compound Identification
SMILES
CCN1C(SC2=C(C)C=CC(OC)=C12)=NC(=O)C1=CC2=C(S1)C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=RWRIOOGTMSIZPN-UHFFFAOYSA-N
Formula
C20H17N3O4S2
Mass
427.49
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
1-benzothiophenes Thiophene carboxamides 2,3,5-trisubstituted thiophenes Anisoles Nitroaromatic compounds Alkyl aryl ethers Thiazoles Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Carboxylic acids and derivatives Organic salts Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - 1,3-benzothiazole - Benzothiophene - Nitroaromatic compound - Anisole - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Thiophene - Isothiourea - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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