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Oprea1_307096,STK099293,ZINC00881739,BAS 02819256,AG-690/15430158,N-{3

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摘 要:Oprea1_307096,STK099293,ZINC00881739,BAS 02819256,AG-690/15430158,N-{3-[3-(3,4,5-Trimethoxy-benzoyl)-thioureido]-phenyl}-benzamide,6384-24-3, N-[[3-(benzoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide,Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C
[Synonyms]
Oprea1_307096
STK099293
ZINC00881739
BAS 02819256
AG-690/15430158
N-{3-[3-(3,4,5-Trimethoxy-benzoyl)-thioureido]-phenyl}-benzamide
6384-24-3

[Structure]
Oprea1_307096,STK099293,ZINC00881739,BAS 02819256,AG-690/15430158,N-{3

[ Properties Computed from Structure]
Molecular Weight465.52152 [g/mol]
Molecular FormulaC24H23N3O5S
XLogP3.5
H-Bond Donor3
H-Bond Acceptor5
Rotatable Bond Count7
Tautomer Count10
Exact Mass465.135842
MonoIsotopic Mass465.135842
Topological Polar Surface Area97.9
Heavy Atom Count33
Formal Charge0
Complexity659
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: N-[[3-(benzoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3
InChI: InChI=1/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)
26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,
28)(H2,26,27,29,33)/f/h25-27H

 
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