Compound Identification
SMILES
CC1=C(C(=O)N2CCCN(CC3=CSC=C3)CC2)C(=NO1)C1=CC=CC=C1
InChIKey
InChIKey=FOBBDNXOPDUIPB-UHFFFAOYSA-N
Formula
C21H23N3O2S
Mass
381.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazepanes
- Subclass 1,4-diazepanes
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Class
Diazepanes
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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
Aralkylamines Benzene and substituted derivatives Thiophenes Tertiary carboxylic acid amides Isoxazoles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,4-diazepane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - 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