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78374-90-0 | N-(BENZYLTHIOCARBAMOYL)-3-PHENYL-PROP-2-ENAMIDE
CAS No: 78374-90-0 Catalog No: AG005BEP MDL No:
Product Description
Catalog Number:
AG005BEP
Chemical Name:
N-(BENZYLTHIOCARBAMOYL)-3-PHENYL-PROP-2-ENAMIDE
CAS Number:
78374-90-0
Molecular Formula:
C17H16N2OS
Molecular Weight:
296.3867
IUPAC Name:
N-(benzylcarbamothioyl)-3-phenylprop-2-enamide
InChI:
InChI=1S/C17H16N2OS/c20-16(12-11-14-7-3-1-4-8-14)19-17(21)18-13-15-9-5-2-6-10-15/h1-12H,13H2,(H2,18,19,20,21)
InChI Key:
NGODYGDCMXDGFI-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)C=Cc1ccccc1)NCc1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.388g/mol
Monoisotopic Mass:
296.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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