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STK006096,ZINC00179638,BAS 02818059,AG-690/15429721,1-(4-Dimethylamino

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摘 要:STK006096,ZINC00179638,BAS 02818059,AG-690/15429721,1-(4-Dimethylamino-phenyl)-3-(4-fluoro-benzoyl)-thiourea, N-[(4-dimethylaminophenyl)carbamothioyl]-4-fluorobenzamide,Canonical SMILES: CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F,InChI: InChI=1/C16
[Synonyms]
STK006096
ZINC00179638
BAS 02818059
AG-690/15429721
1-(4-Dimethylamino-phenyl)-3-(4-fluoro-benzoyl)-thiourea

[Structure]
STK006096,ZINC00179638,BAS 02818059,AG-690/15429721,1-(4-Dimethylamino

[ Properties Computed from Structure]
Molecular Weight317.381143 [g/mol]
Molecular FormulaC16H16FN3OS
XLogP3.6
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count5
Exact Mass317.099811
MonoIsotopic Mass317.099811
Topological Polar Surface Area44.4
Heavy Atom Count22
Formal Charge0
Complexity389
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-dimethylaminophenyl)carbamothioyl]-4-fluorobenzamide
Canonical SMILES: CN(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F
InChI: InChI=1/C16H16FN3OS/c1-20(2)14-9-7-13(8-10-14)18-16(22)19-15(21)11-3-5-
12(17)6-4-11/h3-10H,1-2H3,(H2,18,19,21,22)/f/h18-19H

 
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