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79340-29-7 | N-(N-METHYLSULFANYLCARBONYL-N-PHENYL-CARBAMIMIDOYL)BENZAMIDE
CAS No: 79340-29-7 Catalog No: AG005KAR MDL No:
Product Description
Catalog Number:
AG005KAR
Chemical Name:
N-(N-METHYLSULFANYLCARBONYL-N-PHENYL-CARBAMIMIDOYL)BENZAMIDE
CAS Number:
79340-29-7
Molecular Formula:
C16H15N3O2S
Molecular Weight:
313.3742
IUPAC Name:
S-methyl N-(N'-benzoylcarbamimidoyl)-N-phenylcarbamothioate
InChI:
InChI=1S/C16H15N3O2S/c1-22-16(21)19(13-10-6-3-7-11-13)15(17)18-14(20)12-8-4-2-5-9-12/h2-11H,1H3,(H2,17,18,20)
InChI Key:
ZIPXLZQEFRFYGN-UHFFFAOYSA-N
SMILES:
CSC(=O)N(C(=N)NC(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.375g/mol
Monoisotopic Mass:
313.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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