5V9
Summary
| Name: | ~{N}-[(4-thiophen-3-ylphenyl)methyl]cyclohexanamine |
| Formula: | C17 H21 N S |
| Formal charge: | 0 |
| Formula weight: | 271.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[(4-thiophen-3-ylphenyl)methyl]cyclohexanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21NS/c1-2-4-17(5-3-1)18-12-14-6-8-15(9-7-14)16-10-11-19-13-16/h6-11,13,17-18H,1-5,12H2 |
| InChIKey | InChI | 1.03 | DWSHMNMYXHMEJV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CCC(CC1)NCc2ccc(cc2)c3cscc3 |
| SMILES | CACTVS | 3.385 | C1CCC(CC1)NCc2ccc(cc2)c3cscc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CNC2CCCCC2)c3ccsc3 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(ccc1CNC2CCCCC2)c3ccsc3 |
