Compound Identification
SMILES
CCCCC(=O)OCCCN1CCN(CC1)[C@H]1CC2=CC=CC=C2SC2=C1C=C(OC)C=C2
InChIKey
InChIKey=VVQMYCRUIRWEPR-DEOSSOPVSA-N
Formula
C27H36N2O3S
Mass
468.66
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 Anisoles N-alkylpiperazines Fatty acid esters Aralkylamines Alkyl aryl ethers Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Diarylthioether - Anisole - Phenol ether - Aryl thioether - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Fatty acid ester - Fatty acyl - Benzenoid - Piperazine - 1,4-diazinane - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - Azacycle - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen 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