Compound Identification
SMILES
CN1C(N)=C2C(=O)N(C)C3=C(CCSC4=CC=CC=C34)C2=C(C#N)C1=O
InChIKey
InChIKey=VBILWVCONRHBHS-UHFFFAOYSA-N
Formula
C19H16N4O2S
Mass
364.42
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
Naphthyridines Pyridinones Aminopyridines and derivatives Alkylarylthioethers Benzenoids Vinylogous amides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiepin - Naphthyridine - Aryl thioether - Aminopyridine - Pyridinone - Alkylarylthioether - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Thioether - Nitrile - Carbonitrile - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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