Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N1(CCCC1)C2(CCCCC2)c6sc(c3cc5c(cc3)n(CC4CCCN4)cc5)nc6 |
InChI | InChI | 1.03 | InChI=1S/C26H34N4S/c1-2-11-26(12-3-1,30-14-4-5-15-30)24-18-28-25(31-24)21-8-9-23-20(17-21)10-16-29(23)19-22-7-6-13-27-22/h8-10,16-18,22,27H,1-7,11-15,19H2/t22-/m0/s1 |
InChIKey | InChI | 1.03 | QJVRHGDUROHLPF-QFIPXVFZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5n(C[C@@H]6CCCN6)ccc5c4 |
SMILES | CACTVS | 3.385 | C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5n(C[CH]6CCCN6)ccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(ccn2CC3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 |