Compound Identification
SMILES
CCOC(=O)C1=NC2=CC(Cl)=CC(Cl)=C2C(=C1)N1CC[NH+](CC1)[C@@H]1CC2=CC=CC=C2SC2=CC=CC=C12
InChIKey
InChIKey=NZQJJTWDYUGEQL-RUZDIDTESA-O
Formula
C30H28Cl2N3O2S
Mass
565.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzothiepins
- Subclass Dibenzothiepins
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Class
Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Dibenzothiepins
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiepins
Alternative Parents
N-arylpiperazines Pyridinylpiperazines Chloroquinolines Diarylthioethers 4-aminoquinolines Pyridinecarboxylic acids Dialkylarylamines Aminopyridines and derivatives Aralkylamines N-alkylpiperazines Aryl chlorides Benzenoids Heteroaromatic compounds Quaternary ammonium salts Amino acids and derivatives Trialkylamines Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Pyridinylpiperazine - N-arylpiperazine - Aminoquinoline - 4-aminoquinoline - Haloquinoline - Diarylthioether - Chloroquinoline - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Aryl thioether - Tertiary aliphatic/aromatic amine - Aralkylamine - Aminopyridine - N-alkylpiperazine - Benzenoid - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Heteroaromatic compound - Quaternary ammonium salt - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Thioether - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.
External Descriptors
Not available