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STK089788,ZINC00881623,BAS 02818803,AG-690/40637541,1-(2,4-Dichloro-ph

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摘 要:STK089788,ZINC00881623,BAS 02818803,AG-690/40637541,1-(2,4-Dichloro-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea, N-[(2,4-dichlorophenyl)carbamothioyl]-3,4-dimethoxybenzamide,Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)Cl)OC,InChI: I
[Synonyms]
STK089788
ZINC00881623
BAS 02818803
AG-690/40637541
1-(2,4-Dichloro-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea

[Structure]
STK089788,ZINC00881623,BAS 02818803,AG-690/40637541,1-(2,4-Dichloro-ph

[ Properties Computed from Structure]
Molecular Weight385.26496 [g/mol]
Molecular FormulaC16H14Cl2N2O3S
XLogP4
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count5
Exact Mass384.010218
MonoIsotopic Mass384.010218
Topological Polar Surface Area59.6
Heavy Atom Count24
Formal Charge0
Complexity455
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-[(2,4-dichlorophenyl)carbamothioyl]-3,4-dimethoxybenzamide
Canonical SMILES: COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)Cl)OC
InChI: InChI=1/C16H14Cl2N2O3S/c1-22-13-6-3-9(7-14(13)23-2)15(21)20-16(24)19-12-
5-4-10(17)8-11(12)18/h3-8H,1-2H3,(H2,19,20,21,24)/f/h19-20H

 
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