Compound Identification
SMILES
C[NH+](CCCNC(=O)C1=CC2=C(SC(=CC3=CC=CC=C3)C(=O)N2CC2=CC=CC(C)=C2)C=C1)C1CCCCC1
InChIKey
InChIKey=AFKBYNLPCUGDNZ-UHFFFAOYSA-O
Formula
C34H40N3O2S
Mass
554.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazines
Alternative Parents
Aryl thioethers Toluenes Cyclohexylamines 1,4-thiazines Tertiary carboxylic acid amides Quaternary ammonium salts Trialkylamines Thioenol ethers Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazine - Aryl thioether - Cyclohexylamine - Toluene - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available