Compound Identification
SMILES
OC(=O)\C=C/C([O-])=O.CN1CC[NH+](CC1)C1CC2=CC=CC=C2SC2=C1C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=FIFASUIQVWVKCG-BTJKTKAUSA-N
Formula
C23H25N3O6S
Mass
471.53
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
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Dibenzothiepins
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzothiepins
Alternative Parents
Diarylthioethers Nitroaromatic compounds Aralkylamines N-methylpiperazines Unsaturated fatty acids Benzenoids Dicarboxylic acids and derivatives Quaternary ammonium salts Trialkylamines Carboxylic acid salts Organic oxoazanium compounds Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Dibenzothiepin - Diarylthioether - Aryl thioether - Nitroaromatic compound - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Fatty acyl - Fatty acid - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Benzenoid - Unsaturated fatty acid - Quaternary ammonium salt - Organic nitro compound - Carboxylic acid salt - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic salt - Organic nitrogen compound - Amine - 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