T4N
Summary
Name: | ~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide |
Formula: | C13 H16 N2 O3 S |
Formal charge: | 0 |
Formula weight: | 280.343 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-(4-methoxyphenyl)-2-[(2~{S})-3-oxidanylidenethiomorpholin-2-yl]ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
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 |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)C[C@@H]2SCCNC2=O)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)C[CH]2SCCNC2=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)NC(=O)C[C@H]2C(=O)NCCS2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)NC(=O)CC2C(=O)NCCS2 |