Compound Identification
SMILES
ClC1=CC2=C(SC3=CC=CC=C3C(C2)N2CCN(CCCN3C(=O)NC4=CC=CC=C34)CC2)C=C1
InChIKey
InChIKey=UOOLZYMQVMDLKC-UHFFFAOYSA-N
Formula
C28H29ClN4OS
Mass
505.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Diarylthioethers Benzimidazoles N-alkylpiperazines Aralkylamines N-substituted imidazoles Benzenoids Aryl chlorides Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Benzimidazole - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - 1,4-diazinane - N-substituted imidazole - Piperazine - Heteroaromatic compound - Azole - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - Thioether - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen 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