T4N

~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide

Created:	2020-12-14
Last modified:	2021-03-03

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1 entries where T4N is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	6

2D diagram of T4N

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Chemical Component Summary
Name	~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide
Formula	C₁₃ H₁₆ N₂ O₃ S
Molecular Weight	280.343
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(NC(=O)C[CH]2SCCNC2=O)cc1
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)NC(=O)CC2C(=O)NCCS2
Canonical SMILES	CACTVS	3.385	COc1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)NC(=O)C[C@H]2C(=O)NCCS2
InChI	InChI	1.03	InChI=1S/C13H16N2O3S/c1-18-10-4-2-9(3-5-10)15-12(16)8-11-13(17)14-6-7-19-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16)/t11-/m0/s1
InChIKey	InChI	1.03	NWPAXMXJJARHNG-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	685785

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.