4-{3-[5-(1H-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid

HCID 10136729
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Basic information

Standard SMILES
COc1ccc(-c2cc3ccccc3[nH]2)cc1NC(=S)Nc1ccc(C(=O)O)cc1
InChIKey
SXRIGBQBTVFRRV-UHFFFAOYSA-N
Molecular formula
C23H19N3O3S
Average molar mass
417.5 g/mol

Names & identifiers

Preferred name
4-{3-[5-(1H-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid
IUPAC
4-[[5-(1H-indol-2-yl)-2-methoxyphenyl]carbamothioylamino]benzoic acid

Names & synonyms

SCHEMBL6494681SXRIGBQBTVFRRV-UHFFFAOYSA-N4-{3-[5-(1H-Indol-2-yl)-2-methoxy-phenyl]-thioureido}-benzoic acid

Database identifiers

PubChem CID
10136729

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
118 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

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