Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NN1CCN(C)CC1)CN2C(=O)C(\SC2=S)=C\c3c(Cl)ccc(Cl)c3Cl |
InChI | InChI | 1.03 | InChI=1S/C17H17Cl3N4O2S2/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8- |
InChIKey | InChI | 1.03 | GTHJLNHVDYJCCB-JYRVWZFOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)NC(=O)CN2C(=S)S\C(=C/c3c(Cl)ccc(Cl)c3Cl)C2=O |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)NC(=O)CN2C(=S)SC(=Cc3c(Cl)ccc(Cl)c3Cl)C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)NC(=O)CN2C(=O)/C(=C/c3c(ccc(c3Cl)Cl)Cl)/SC2=S |
SMILES | OpenEye OEToolkits | 1.7.6 | CN1CCN(CC1)NC(=O)CN2C(=O)C(=Cc3c(ccc(c3Cl)Cl)Cl)SC2=S |