Compound Identification
SMILES
COC1=CC=C(C=C1)C12CC(SC3=CC=CC=C3N1C(=NO2)C1=CC=CC=C1)C1=C(SC2=CC=CC=C2)N(N=C1C)C1=CC=CC=C1
InChIKey
InChIKey=BROKCRXXVABGSL-UHFFFAOYSA-N
Formula
C39H32N4O2S2
Mass
652.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
Phenylpyrazoles Diarylthioethers Thiophenol ethers Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Imidolactams Heteroaromatic compounds Tertiary amines Azacyclic compounds Oxacyclic compounds Amidines Sulfenyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Diarylthioether - Benzothiazepine - Thiophenol ether - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Anisole - Alkyl aryl ether - Alkylarylthioether - Imidolactam - Monocyclic benzene moiety - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Tertiary amine - Amidine - Oxacycle - Azacycle - Ether - Sulfenyl compound - Thioether - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).
External Descriptors
Not available