Compound Identification
SMILES
C\C(=N/OCC(O)=O)C1=CC=C(C=C1)C1=CC(OCC(=O)N2CCN(CC2)C2C3=CC=CC=C3CSC3=CC=CC=C23)=CC=C1
InChIKey
InChIKey=YFYLCMXSNUFAOO-AUGOTPMTSA-N
Formula
C36H35N3O5S
Mass
621.75
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
Biphenyls and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers N-alkylpiperazines Alkylarylthioethers Aralkylamines Tertiary carboxylic acid amides Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzothiepin - Biphenyl - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Carboxamide group - Thioether - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - 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