Compound Identification
SMILES
CC1=CC=C(C=C1)C1N2C(=O)CCSC2=NC2=C1CCOC1=C2C=CC2=CC=CC=C12
InChIKey
InChIKey=QFOURTWZPWKKPK-UHFFFAOYSA-N
Formula
C26H22N2O2S
Mass
426.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Naphthalenes Toluenes Alkyl aryl ethers Thiazinanes Hydropyrimidines Isothioureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Naphthalene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - 1,3-thiazinane - Benzenoid - Isothiourea - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available