T4J

N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide

Created:	2020-03-16
Last modified:	2024-09-27

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1 entries where T4J is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of T4J

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Chemical Component Summary
Name	N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-(3-thiomorpholin-4-ylcarbonylphenyl)ethanamide
Formula	C₁₃ H₁₆ N₂ O₂ S
Molecular Weight	264.343
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCSCC1)C(c2cccc(c2)NC(C)=O)=O
SMILES	CACTVS	3.385	CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1cccc(c1)C(=O)N2CCSCC2
InChI	InChI	1.03	InChI=1S/C13H16N2O2S/c1-10(16)14-12-4-2-3-11(9-12)13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16)
InChIKey	InChI	1.03	GUMMRKWNILQOGK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	47289091

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