JTL
Summary
| Name: | N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide |
| Formula: | C14 H11 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 269.322 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1cccs1)c1cc2nccnc2cc1 |
| InChI | InChI | 1.03 | InChI=1S/C14H11N3OS/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18) |
| InChIKey | InChI | 1.03 | ZZCPENMOMKGBMP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1sccc1)c2ccc3nccnc3c2 |
| SMILES | CACTVS | 3.385 | O=C(NCc1sccc1)c2ccc3nccnc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNC(=O)c2ccc3c(c2)nccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNC(=O)c2ccc3c(c2)nccn3 |
