Compound Identification
SMILES
CCOC(=O)C1=NC2=CC(Cl)=CC(Cl)=C2C(=C1)N1CCN(CC1)[C@@H]1CC2=CC=CC=C2SC2=CC=CC=C12
InChIKey
InChIKey=NZQJJTWDYUGEQL-RUZDIDTESA-N
Formula
C30H27Cl2N3O2S
Mass
564.53
Taxonomic Classification
Taxonomy Tree
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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
Pyridinylpiperazines N-arylpiperazines 4-aminoquinolines Diarylthioethers Chloroquinolines Pyridinecarboxylic acids Dialkylarylamines Aminopyridines and derivatives N-alkylpiperazines Aralkylamines Benzenoids Aryl chlorides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
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 - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Thioether - Carboxylic acid derivative - Azacycle - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - 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