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142203-66-5 | Carbamimidothioic acid, N,N'-dibenzoyl-, phenylmethyl ester
CAS No: 142203-66-5 Catalog No: AG001HY3 MDL No:
Product Description
Catalog Number:
AG001HY3
Chemical Name:
Carbamimidothioic acid, N,N'-dibenzoyl-, phenylmethyl ester
CAS Number:
142203-66-5
Molecular Formula:
C22H18N2O2S
Molecular Weight:
374.4555
IUPAC Name:
benzyl N,N'-dibenzoylcarbamimidothioate
InChI:
InChI=1S/C22H18N2O2S/c25-20(18-12-6-2-7-13-18)23-22(27-16-17-10-4-1-5-11-17)24-21(26)19-14-8-3-9-15-19/h1-15H,16H2,(H,23,24,25,26)
InChI Key:
LOGFEJVQXUXREJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC(=NC(=O)c1ccccc1)SCc1ccccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.109g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.458g/mol
Monoisotopic Mass:
374.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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