Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(CCl)N(CCCOC)c2scc(c1ccc(cc1)OC)n2 |
InChI | InChI | 1.03 | InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3 |
InChIKey | InChI | 1.03 | KZMAWJRXKGLWGS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCCN(C(=O)CCl)c1scc(n1)c2ccc(OC)cc2 |
SMILES | CACTVS | 3.385 | COCCCN(C(=O)CCl)c1scc(n1)c2ccc(OC)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl |
SMILES | OpenEye OEToolkits | 2.0.7 | COCCCN(c1nc(cs1)c2ccc(cc2)OC)C(=O)CCl |