Compound Identification
SMILES
COC1=C(OCCCSC2=NN=C3N2S(=O)(=O)C2=CC=CC=C2N3C2=CC=CC=C2)C=C2N=C[C@@H]3CCCN3C(=O)C2=C1
InChIKey
InChIKey=CSDHOVKXIZNZRY-NRFANRHFSA-N
Formula
C30H28N6O5S2
Mass
616.71
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolo[2,1-c][1,4]benzodiazepines
Alternative Parents
1,2,4-benzothiadiazine-1,1-dioxides Aniline and substituted anilines Anisoles Alkyl aryl ethers Alkylarylthioethers Triazoles Tertiary carboxylic acid amides Sulfonyls Pyrrolidines Organosulfonic acids and derivatives Heteroaromatic compounds Lactams Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Imines Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-c][1,4]benzodizepine - 1,2,4-benzothiadiazine-1,1-dioxide - Benzothiadiazine - Aryl thioether - Anisole - Aniline or substituted anilines - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Azole - Pyrrolidine - Sulfonyl - Organic sulfonic acid or derivatives - 1,2,4-triazole - Organosulfonic acid or derivatives - Heteroaromatic compound - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Imine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,1-c][1,4]benzodiazepines. These are heterocyclic aromatic compounds containing a 1,4-benzodiazepine ring system that is fused to, and shared a nitrogen atom with a pyrrole ring.
External Descriptors
Not available