Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CCCCC1N(Cc2ccc(cc2)CNC(c4c3c(N=CNC3=O)sc4)=O)CC |
InChI | InChI | 1.03 | InChI=1S/C23H28N4O2S/c1-2-27(18-6-4-3-5-7-18)13-17-10-8-16(9-11-17)12-24-21(28)19-14-30-23-20(19)22(29)25-15-26-23/h8-11,14-15,18H,2-7,12-13H2,1H3,(H,24,28)(H,25,26,29) |
InChIKey | InChI | 1.03 | VDWQEXVBMIBDPI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(Cc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1)C4CCCCC4 |
SMILES | CACTVS | 3.385 | CCN(Cc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1)C4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4 |