Compound Identification
SMILES
CCN(CC)CCN(C(=O)C1=CC(=CC=C1)[N+]([O-])=O)C1=NC2=C(S1)C=C(OC)C=C2
InChIKey
InChIKey=BCTNJRQRGQEFHO-UHFFFAOYSA-N
Formula
C21H24N4O4S
Mass
428.51
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
Benzamides Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Thiazoles Amino acids and derivatives Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzoic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Anisole - Nitroaromatic compound - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic oxygen compound - Amine - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - 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