Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)n1nc(C)c2cc(sc21)C(=O)N1CCCCC1 |
InChI | InChI | 1.03 | InChI=1S/C18H18ClN3OS/c1-12-15-11-16(17(23)21-9-3-2-4-10-21)24-18(15)22(20-12)14-7-5-13(19)6-8-14/h5-8,11H,2-4,9-10H2,1H3 |
InChIKey | InChI | 1.03 | XIGJPULZGSRFEL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1nn(c2ccc(Cl)cc2)c3sc(cc13)C(=O)N4CCCCC4 |
SMILES | CACTVS | 3.385 | Cc1nn(c2ccc(Cl)cc2)c3sc(cc13)C(=O)N4CCCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)N4CCCCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)N4CCCCC4 |