Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CCCCN1CCCSc2nc(N)c5c(n2)sc3c5CCC(C3)c4ccccc4 |
InChI | InChI | 1.03 | InChI=1S/C24H30N4S2/c25-22-21-19-11-10-18(17-8-3-1-4-9-17)16-20(19)30-23(21)27-24(26-22)29-15-7-14-28-12-5-2-6-13-28/h1,3-4,8-9,18H,2,5-7,10-16H2,(H2,25,26,27)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | IMHDFRLOCDDLHN-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(SCCCN2CCCCC2)nc3sc4C[C@H](CCc4c13)c5ccccc5 |
SMILES | CACTVS | 3.385 | Nc1nc(SCCCN2CCCCC2)nc3sc4C[CH](CCc4c13)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2CCc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2CCc3c(sc4c3c(nc(n4)SCCCN5CCCCC5)N)C2 |