Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1sc(Cl)cc1CNCCCNC(=O)Nc2ccsc2 |
InChI | InChI | 1.03 | InChI=1S/C13H15Cl2N3OS2/c14-11-6-9(12(15)21-11)7-16-3-1-4-17-13(19)18-10-2-5-20-8-10/h2,5-6,8,16H,1,3-4,7H2,(H2,17,18,19) |
InChIKey | InChI | 1.03 | SZYXSDCUJDMWNQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1sc(Cl)c(CNCCCNC(=O)Nc2cscc2)c1 |
SMILES | CACTVS | 3.385 | Clc1sc(Cl)c(CNCCCNC(=O)Nc2cscc2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl |