Compound Identification
SMILES
COC1=CC2=C(SC3=C2NC[C@@H](CNCC2=CC=CC=C2)NC3=O)C=C1
InChIKey
InChIKey=UMTQCLJEOZEKRG-CQSZACIVSA-N
Formula
C20H21N3O2S
Mass
367.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienodiazepines
Alternative Parents
1-benzothiophenes Phenylmethylamines 2-heteroaryl carboxamides Benzylamines Anisoles Secondary alkylarylamines 1,4-diazepines Alkyl aryl ethers Aralkylamines Vinylogous amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thieno-para-diazepine - Benzothiophene - 1-benzothiophene - Anisole - 2-heteroaryl carboxamide - Benzylamine - Phenol ether - Phenylmethylamine - Aralkylamine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Para-diazepine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Azacycle - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available