M56

~{N}-methyl-1,3-benzothiazole-6-carboxamide

Created:	2022-07-22
Last modified:	2022-09-14

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1 entries where M56 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	10

2D diagram of M56

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Chemical Component Summary
Name	~{N}-methyl-1,3-benzothiazole-6-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-methyl-1,3-benzothiazole-6-carboxamide
Formula	C₉ H₈ N₂ O S
Molecular Weight	192.238
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(=O)c1ccc2ncsc2c1
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)c1ccc2c(c1)scn2
Canonical SMILES	CACTVS	3.385	CNC(=O)c1ccc2ncsc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)c1ccc2c(c1)scn2
InChI	InChI	1.06	InChI=1S/C9H8N2OS/c1-10-9(12)6-2-3-7-8(4-6)13-5-11-7/h2-5H,1H3,(H,10,12)
InChIKey	InChI	1.06	KSBMLBBPMOTYRO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	22103788

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