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STK037339,ZINC00881906,BAS 02819583,AG-690/15430283,1-(3-Bromo-4-metho

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摘 要:STK037339,ZINC00881906,BAS 02819583,AG-690/15430283,1-(3-Bromo-4-methoxy-benzoyl)-3-(4-dimethylamino-phenyl)-thiourea, 3-bromo-N-[(4-dimethylaminophenyl)carbamothioyl]-4-methoxybenzamide,Canonical SMILES: CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)O
[Synonyms]
STK037339
ZINC00881906
BAS 02819583
AG-690/15430283
1-(3-Bromo-4-methoxy-benzoyl)-3-(4-dimethylamino-phenyl)-thiourea

[Structure]
STK037339,ZINC00881906,BAS 02819583,AG-690/15430283,1-(3-Bromo-4-metho

[ Properties Computed from Structure]
Molecular Weight408.31272 [g/mol]
Molecular FormulaC17H18BrN3O2S
XLogP4.1
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count5
Exact Mass407.03031
MonoIsotopic Mass407.03031
Topological Polar Surface Area53.6
Heavy Atom Count24
Formal Charge0
Complexity442
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-bromo-N-[(4-dimethylaminophenyl)carbamothioyl]-4-methoxybenzamide
Canonical SMILES: CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br
InChI: InChI=1/C17H18BrN3O2S/c1-21(2)13-7-5-12(6-8-13)19-17(24)20-16(22)11-4-9-
15(23-3)14(18)10-11/h4-10H,1-3H3,(H2,19,20,22,24)/f/h19-20H

 
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