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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
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Level 5
Dibenzopyrans
- Level 6 Xanthenes
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Level 5
Dibenzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Dibenzopyrans
Direct Parent
Xanthenes
Alternative Parents
Alpha amino acid amides Phenylacetamides N-phenylthioureas Benzoic acids Anilides Benzoyl derivatives Dichlorobenzenes N-arylamides Aralkylamines 1-hydroxy-2-unsubstituted benzenoids N-alkylpyrrolidines Aryl chlorides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Cyclic ketones Thioureas Trialkylamines Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
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