Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(CC1)C(=O)NCC1CCCO1)c1cccs1 |
InChI | InChI | 1.06 | InChI=1S/C15H21N3O3S/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)/t12-/m0/s1 |
InChIKey | InChI | 1.06 | IFBUPEBQECKOCS-LBPRGKRZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC[C@H]1CCCO1)N2CCN(CC2)C(=O)c3sccc3 |
SMILES | CACTVS | 3.385 | O=C(NC[CH]1CCCO1)N2CCN(CC2)C(=O)c3sccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NC[C@H]3CCCO3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CCCO3 |