Compound Identification
SMILES
CN1C=CN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)C=C1
InChIKey
InChIKey=DTHNGLBXMLDUNS-UHFFFAOYSA-N
Formula
C21H20F3N3S
Mass
403.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiazines
- Subclass Phenothiazines
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Class
Benzothiazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazines
Subclass
Phenothiazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenothiazines
Alternative Parents
Alkyldiarylamines Diarylthioethers Benzenoids 1,4-thiazines Trialkylamines Enamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Tertiary aliphatic/aromatic amine - Para-thiazine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Thioether - Enamine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
External Descriptors
META CYC (CPD-4506) : a small molecule