Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazepanes

Subclass

1,4-diazepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,4-diazepanes

Alternative Parents

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

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