Compound Identification
SMILES
CC1=C(NC(=O)C2=CC3=C(C=C2)S(=O)C2=CC=CC=C2C(=O)N3CC2=CC(Cl)=CC=C2)C=CC=C1[N+]([O-])=O
InChIKey
InChIKey=YGGSXMYABQUAJW-UHFFFAOYSA-N
Formula
C28H20ClN3O5S
Mass
545.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiazepines
- Subclass Dibenzothiazepines
-
Class
Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Dibenzothiazepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiazepines
Alternative Parents
Aromatic anilides Nitrobenzenes Nitrotoluenes Nitroaromatic compounds Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Sulfoxides Secondary carboxylic acid amides Lactams Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiazepine - Aromatic anilide - Nitrotoluene - Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Sulfoxide - Allyl-type 1,3-dipolar organic compound - Sulfinyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiazepines. These are compounds containing a dibenzothiazepine moiety, which consists of two benzene connected by a thiazepine ring.
External Descriptors
Not available