N-(2-methoxy-5-morpholinophenylcarbamothioyl)benzamide

HCID 22015734

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Basic information

CAS: 383870-86-8
Standard SMILES: COc1ccc(N2CCOCC2)cc1NC(=S)NC(=O)c1ccccc1
InChIKey: FAXXRNJSZBKREZ-UHFFFAOYSA-N
Molecular formula: C19H21N3O3S
Average molar mass: 371.5 g/mol
Monoisotopic mass: 371.13036253

Names & identifiers

Preferred name: N-(2-methoxy-5-morpholinophenylcarbamothioyl)benzamide
IUPAC: N-[(2-methoxy-5-morpholin-4-ylphenyl)carbamothioyl]benzamide
English name: N-(2-Methoxy-5-MorpholinophenylcarbaMothioyl)benzaMide
Molecular formula: C19H21N3O3S
Molecular weight: 371.45

Names & synonyms

383870-86-8N-(2-methoxy-5-morpholinophenylcarbamothioyl)benzamideN-((2-Methoxy-5-morpholinophenyl)carbamothioyl)benzamideN-[(2-methoxy-5-morpholin-4-ylphenyl)carbamothioyl]benzamide1-Benzoyl-3-(2-methoxy-5-morpholin-4-yl-phenyl)-thioureaMFCD18643426SCHEMBL3053531FAXXRNJSZBKREZ-UHFFFAOYSA-NDTXSID201161201CS-M0528AKOS022185700CS-14304

Show more names

DA-29806F788719Benzoyl-3-(2-methoxy-5-morpholin-4-yl-phenyl)-thioureaN-[(2-methoxy-5-morpholino-phenyl)carbamothioyl]benzamide1 -Benzoyl-3-(2-methoxy-5-morpholin-4-yl-phenyl)-thioureaN-{[2-Methoxy-5-(morpholin-4-yl)phenyl]carbamothioyl}benzamideN-[[[2-Methoxy-5-(4-morpholinyl)phenyl]amino]thioxomethyl]benzamideBenzamide,N-[[[2-methoxy-5-(4-morpholinyl)phenyl]amino]thioxomethyl]-

Database identifiers

CAS: 383870-86-8
PubChem CID: 22015734
DTXSID: DTXSID201161201

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 94.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 479

Physicochemical properties

Density: 1.299 · 1.299±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.79 · 8.79±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338