ZKH
Summary
Name: | N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
Formula: | C13 H19 N3 O3 S |
Formal charge: | 0 |
Formula weight: | 297.373 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-(2-methoxyethyl)-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)NCCOC)c1cccs1 |
InChI | InChI | 1.06 | InChI=1S/C13H19N3O3S/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-10-20-11/h2-3,10H,4-9H2,1H3,(H,14,18) |
InChIKey | InChI | 1.06 | QKXFZIVPIBBCQA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCNC(=O)N1CCN(CC1)C(=O)c2sccc2 |
SMILES | CACTVS | 3.385 | COCCNC(=O)N1CCN(CC1)C(=O)c2sccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)N1CCN(CC1)C(=O)c2cccs2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)N1CCN(CC1)C(=O)c2cccs2 |