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83697-75-0 | Benzamide, N-[[(4-ethoxyphenyl)amino]thioxomethyl]-
CAS No: 83697-75-0 Catalog No: AG0056BX MDL No:MFCD00704852
Product Description
Catalog Number:
AG0056BX
Chemical Name:
Benzamide, N-[[(4-ethoxyphenyl)amino]thioxomethyl]-
CAS Number:
83697-75-0
Molecular Formula:
C16H16N2O2S
Molecular Weight:
300.3754
MDL Number:
MFCD00704852
IUPAC Name:
N-[(4-ethoxyphenyl)carbamothioyl]benzamide
InChI:
InChI=1S/C16H16N2O2S/c1-2-20-14-10-8-13(9-11-14)17-16(21)18-15(19)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,17,18,19,21)
InChI Key:
SZRSPFVIUYFBER-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=S)NC(=O)c1ccccc1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.376g/mol
Monoisotopic Mass:
300.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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