Compound Identification
SMILES
CC(C)(C)OC(=O)NCCCCCNC1=NC2=C(CCSC3=C2C=C(F)C=C3)S1
InChIKey
InChIKey=FDXTYHXDYXBTNI-UHFFFAOYSA-N
Formula
C21H28FN3O2S2
Mass
437.59
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 Benzenoids Aryl fluorides 2-amino-1,3-thiazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Aryl thioether - Alkylarylthioether - Aryl fluoride - Aryl halide - 1,3-thiazol-2-amine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carbamic acid ester - Azacycle - Thioether - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - 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