Compound Identification
SMILES
BrC1=CC=CC=C1C(N1CCCNCC1)C1=CSC=C1
InChIKey
InChIKey=FIRUPWXFPMPWJO-UHFFFAOYSA-N
Formula
C16H19BrN2S
Mass
351.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazepanes
- Subclass 1,4-diazepanes
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Class
Diazepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazepanes
Subclass
1,4-diazepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,4-diazepanes
Alternative Parents
Bromobenzenes Aralkylamines Aryl bromides Thiophenes Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,4-diazepane - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Secondary aliphatic amine - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.
External Descriptors
Not available