Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CCCCC1(c5sc(c2cc3c(cc2)n(cc3)CCC4CCNCC4)nc5)N6CCCC6 |
InChI | InChI | 1.03 | InChI=1S/C28H38N4S/c1-2-12-28(13-3-1,32-16-4-5-17-32)26-21-30-27(33-26)24-6-7-25-23(20-24)11-19-31(25)18-10-22-8-14-29-15-9-22/h6-7,11,19-22,29H,1-5,8-10,12-18H2 |
InChIKey | InChI | 1.03 | KBPMYBYNCAAYSC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5n(CCC6CCNCC6)ccc5c4 |
SMILES | CACTVS | 3.385 | C1CCC(CC1)(N2CCCC2)c3sc(nc3)c4ccc5n(CCC6CCNCC6)ccc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(ccn2CCC3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(ccn2CCC3CCNCC3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6 |