Compound Identification
SMILES
CCN(CC)S(=O)(=O)NCC1CCC(CNC2=NC3=C(CCSC4=C3C=C(F)C=C4)S2)CC1
InChIKey
InChIKey=OBBDONSFWUATTQ-UHFFFAOYSA-N
Formula
C23H33FN4O2S3
Mass
512.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Alkylarylthioethers Sulfuric acid diamides Benzenoids Aryl fluorides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - Alkylarylthioether - Aryl fluoride - Aryl halide - Sulfuric acid diamide - Benzenoid - 1,3-thiazol-2-amine - Azole - Organic sulfuric acid or derivatives - Thiazole - Heteroaromatic compound - Thioether - Azacycle - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available