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Oprea1_402826,STOCK2S-42966,ZINC00881772,BAS 02819304,AG-690/15430191,

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摘 要:Oprea1_402826,STOCK2S-42966,ZINC00881772,BAS 02819304,AG-690/15430191,1-(3-Methoxy-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea, 3,4,5-trimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide,Canonical SMILES: COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2
[Synonyms]
Oprea1_402826
STOCK2S-42966
ZINC00881772
BAS 02819304
AG-690/15430191
1-(3-Methoxy-phenyl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea

[Structure]
Oprea1_402826,STOCK2S-42966,ZINC00881772,BAS 02819304,AG-690/15430191,

[ Properties Computed from Structure]
Molecular Weight376.4268 [g/mol]
Molecular FormulaC18H20N2O5S
XLogP2.4
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count6
Tautomer Count5
Exact Mass376.109292
MonoIsotopic Mass376.109292
Topological Polar Surface Area78.1
Heavy Atom Count26
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3,4,5-trimethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
Canonical SMILES: COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1/C18H20N2O5S/c1-22-13-7-5-6-12(10-13)19-18(26)20-17(21)11-8-14
(23-2)16(25-4)15(9-11)24-3/h5-10H,1-4H3,(H2,19,20,21,26)/f/h19-20H

 
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