Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cccs1)N1CCN(CC1)C(=O)NCCc1nc(C)c(C)s1 |
InChI | InChI | 1.06 | InChI=1S/C17H22N4O2S2/c1-12-13(2)25-15(19-12)5-6-18-17(23)21-9-7-20(8-10-21)16(22)14-4-3-11-24-14/h3-4,11H,5-10H2,1-2H3,(H,18,23) |
InChIKey | InChI | 1.06 | CIRZRFXLJYMKSE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(CCNC(=O)N2CCN(CC2)C(=O)c3sccc3)nc1C |
SMILES | CACTVS | 3.385 | Cc1sc(CCNC(=O)N2CCN(CC2)C(=O)c3sccc3)nc1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)CCNC(=O)N2CCN(CC2)C(=O)c3cccs3)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)CCNC(=O)N2CCN(CC2)C(=O)c3cccs3)C |