Compound Identification
SMILES
O=C1CCCN2N(C[NH+](CC3=CC=CC=C3)CC3=CC=CC=C3)C(=S)SC2=N1
InChIKey
InChIKey=ZUVVSVKWSODAFC-UHFFFAOYSA-O
Formula
C21H23N4OS2
Mass
411.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazepines
- Subclass 1,3-diazepines
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Class
Diazepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazepines
Subclass
1,3-diazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,3-diazepines
Alternative Parents
Benzene and substituted derivatives Thiadiazolidines Quaternary ammonium salts N-acylimines Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta-diazepine - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Thiadiazolidine - N-acylimine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-diazepines. These are organic compounds containing 1,3-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 3.
External Descriptors
Not available