LSL
N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
Created: | 2022-03-04 |
Last modified: | 2022-04-06 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 0 |
Bond Count | 33 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-oxidanyl-4-[(thiophen-3-ylmethylamino)methyl]benzamide |
Formula | C13 H14 N2 O2 S |
Molecular Weight | 262.327 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | ONC(=O)c1ccc(CNCc2ccsc2)cc1 |
SMILES | CACTVS | 3.385 | ONC(=O)c1ccc(CNCc2cscc2)cc1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNCc2ccsc2)C(=O)NO |
Canonical SMILES | CACTVS | 3.385 | ONC(=O)c1ccc(CNCc2cscc2)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNCc2ccsc2)C(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C13H14N2O2S/c16-13(15-17)12-3-1-10(2-4-12)7-14-8-11-5-6-18-9-11/h1-6,9,14,17H,7-8H2,(H,15,16) |
InChIKey | InChI | 1.03 | UUYNWXQYZUGELG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 163183439 |