Compound Identification
SMILES
CCCOCCOC1=CC(Cl)=C(C=C1)C1=CC2=C(C=C1)S(=O)(=O)CCC(=C2)C(=O)NC1=CC=C(CN(C)C2CCOCC2)C=C1
InChIKey
InChIKey=HHPQLQGWAVJOEF-UHFFFAOYSA-N
Formula
C35H41ClN2O6S
Mass
653.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiepins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiepins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiepins
Alternative Parents
Anilides Benzylamines N-arylamides Phenol ethers Phenoxy compounds Phenylmethylamines Chlorobenzenes Alkyl aryl ethers Aralkylamines Oxanes Aryl chlorides Sulfones Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Anilide - Benzylamine - Phenol ether - Phenylmethylamine - N-arylamide - Phenoxy compound - Aralkylamine - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Oxane - Sulfone - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Oxacycle - Ether - Carboxylic acid derivative - Dialkyl ether - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).
External Descriptors
Not available