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89402-64-2 | Benzamide, N-[[[4-(4-methoxyphenyl)-2-thiazolyl]amino]thioxomethyl]-
CAS No: 89402-64-2 Catalog No: AG003VTE MDL No:
Product Description
Catalog Number:
AG003VTE
Chemical Name:
Benzamide, N-[[[4-(4-methoxyphenyl)-2-thiazolyl]amino]thioxomethyl]-
CAS Number:
89402-64-2
Molecular Formula:
C18H15N3O2S2
Molecular Weight:
369.4606
IUPAC Name:
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide
InChI:
InChI=1S/C18H15N3O2S2/c1-23-14-9-7-12(8-10-14)15-11-25-18(19-15)21-17(24)20-16(22)13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21,22,24)
InChI Key:
CZKOBEAOPNSWPN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1csc(n1)NC(=S)NC(=O)c1ccccc1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.061g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.457g/mol
Monoisotopic Mass:
369.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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