Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3 |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O2S/c1-3-23(4-2)10-14-7-5-13(6-8-14)9-20-17(24)15-11-26-19-16(15)18(25)21-12-22-19/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,20,24)(H,21,22,25) |
InChIKey | InChI | 1.03 | SNPTXDKRQKLKGA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)Cc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1 |
SMILES | CACTVS | 3.385 | CCN(CC)Cc1ccc(CNC(=O)c2csc3N=CNC(=O)c23)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN(CC)Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3 |