Structure Information
Structure

Compound Identification

SMILES

CCN(CC)CC.CN(C(CN1CCCC1)C1=CC=C(NC(=O)CNC(=S)NC2=CC(C(O)=O)=C(C=C2)C2=C3C=CC(=O)C=C3OC3=C2C=CC(O)=C3)C=C1)C(=O)CC1=CC(Cl)=C(Cl)C=C1

InChIKey

InChIKey=VOEATMXVIKMMJS-UHFFFAOYSA-N

Formula

C50H54Cl2N6O7S

Mass

953.98

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Dibenzopyrans

Direct Parent

Xanthenes

Alternative Parents

Molecular Framework

Not available

Substituents

Xanthene - Alpha-amino acid amide - N-phenylthiourea - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - Benzoic acid - Benzoic acid or derivatives - Anilide - 1,2-dichlorobenzene - Benzoyl - N-arylamide - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Cyclic ketone - Tertiary aliphatic amine - Amino acid or derivatives - Thiourea - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

External Descriptors

Not available

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