Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N2=C1SC=C(N1CC2(C)C)CS\C(=N/C3CCCCC3)NC4CCCCC4 |
SMILES_CANONICAL | CACTVS | 3.370 | CC1(C)CN2C(=CSC2=N1)CSC(NC3CCCCC3)=NC4CCCCC4 |
SMILES | CACTVS | 3.370 | CC1(C)CN2C(=CSC2=N1)CSC(NC3CCCCC3)=NC4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1(CN2C(=CSC2=N1)CS/C(=N\C3CCCCC3)/NC4CCCCC4)C |
SMILES | OpenEye OEToolkits | 1.7.0 | CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCC3)NC4CCCCC4)C |
InChI | InChI | 1.03 | InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) |
InChIKey | InChI | 1.03 | OOSUDWRRWZVFEB-UHFFFAOYSA-N |