Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N3CCN(Cc1cccc2c1cccc2)CC3)CCCS |
SMILES_CANONICAL | CACTVS | 3.370 | SCCCC(=O)N1CCN(CC1)Cc2cccc3ccccc23 |
SMILES | CACTVS | 3.370 | SCCCC(=O)N1CCN(CC1)Cc2cccc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS |
InChI | InChI | 1.03 | InChI=1S/C19H24N2OS/c22-19(9-4-14-23)21-12-10-20(11-13-21)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8,23H,4,9-15H2 |
InChIKey | InChI | 1.03 | KGVPRVVVECAVEV-UHFFFAOYSA-N |