2-Chloro-4-(3-benzoylthioureido)benzoic acid methyl ester

HCID 54229840
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Basic information

Standard SMILES
COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1Cl
InChIKey
QILRSKSWBXVORB-UHFFFAOYSA-N
Molecular formula
C16H13ClN2O3S
Average molar mass
348.8 g/mol

Names & identifiers

Preferred name
2-Chloro-4-(3-benzoylthioureido)benzoic acid methyl ester
IUPAC
methyl 4-(benzoylcarbamothioylamino)-2-chlorobenzoate

Names & synonyms

SCHEMBL5786059QILRSKSWBXVORB-UHFFFAOYSA-N2-chloro-4-(3-benzoylthioureido)benzoic acid methyl ester

Database identifiers

PubChem CID
54229840

Properties

Computed structural properties

XLogP
4
Topological polar surface area
99.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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