Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CC(C)(C)NC1=NCCNC(=C1)C1=CC=CC=C1

InChIKey

InChIKey=QAROCPJEUJODHA-UHFFFAOYSA-N

Formula

C16H25N3O3S

Mass

339.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazepines

Subclass

1,4-diazepines

Intermediate Tree Nodes

Not available

Direct Parent

1,4-diazepines

Alternative Parents

Imidolactams Benzene and substituted derivatives Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Propargyl-type 1,3-dipolar organic compounds Enamines Dialkylamines Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Para-diazepine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Amidine - Carboxylic acid amidine - Secondary aliphatic amine - Enamine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-diazepines. These are organic compounds containing 1,4-diazepine, a seven-member heterocyclic ring with two nitrogen atoms in positions 1 and 4.

External Descriptors

Not available

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