KDK
Summary
| Name: | 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide |
| Formula: | C17 H21 N3 S |
| Formal charge: | 0 |
| Formula weight: | 299.434 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H21N3S/c18-17(19)16-11-14(13-4-2-1-3-5-13)15(21-16)10-12-6-8-20-9-7-12/h1-5,11-12,20H,6-10H2,(H3,18,19) |
| InChIKey | InChI | 1.03 | YAVOSGXIZPYJCA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1sc(CC2CCNCC2)c(c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | NC(=N)c1sc(CC2CCNCC2)c(c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)\N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc(sc2CC3CCNCC3)C(=N)N |
