0QV
Summary
| Name: | (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione |
| Formula: | C14 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 260.355 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-hydroxypiperidin-1-yl)(1H-indol-3-yl)methanethione |
| OpenEye OEToolkits | 1.7.6 | 1H-indol-3-yl-(4-oxidanylpiperidin-1-yl)methanethione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C(c2c1ccccc1nc2)N3CCC(O)CC3 |
| InChI | InChI | 1.03 | InChI=1S/C14H16N2OS/c17-10-5-7-16(8-6-10)14(18)12-9-15-13-4-2-1-3-11(12)13/h1-4,9-10,15,17H,5-8H2 |
| InChIKey | InChI | 1.03 | VTQVMVULAOZKHG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC1CCN(CC1)C(=S)c2c[nH]c3ccccc23 |
| SMILES | CACTVS | 3.370 | OC1CCN(CC1)C(=S)c2c[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O |
