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STK010271,ZINC00881606,BAS 02818759,N-{4-[3-(3,4-Dimethoxy-benzoyl)-th

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摘 要:STK010271,ZINC00881606,BAS 02818759,N-{4-[3-(3,4-Dimethoxy-benzoyl)-thioureido]-phenyl}-acetamide, N-[(4-acetamidophenyl)carbamothioyl]-3,4-dimethoxybenzamide,Canonical SMILES: CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC,InChI: InChI=1/C18H19
[Synonyms]
STK010271
ZINC00881606
BAS 02818759
N-{4-[3-(3,4-Dimethoxy-benzoyl)-thioureido]-phenyl}-acetamide

[Structure]
STK010271,ZINC00881606,BAS 02818759,N-{4-[3-(3,4-Dimethoxy-benzoyl)-th

[ Properties Computed from Structure]
Molecular Weight373.42616 [g/mol]
Molecular FormulaC18H19N3O4S
XLogP1.6
H-Bond Donor3
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count10
Exact Mass373.109627
MonoIsotopic Mass373.109627
Topological Polar Surface Area88.7
Heavy Atom Count26
Formal Charge0
Complexity509
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-[(4-acetamidophenyl)carbamothioyl]-3,4-dimethoxybenzamide
Canonical SMILES: CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1/C18H19N3O4S/c1-11(22)19-13-5-7-14(8-6-13)20-18(26)21-17(23)12-4-
9-15(24-2)16(10-12)25-3/h4-10H,1-3H3,(H,19,22)(H2,20,21,23,26)/f/h19-21H

 
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