Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)c1cc(C(C)C)cc(c1c2nc(sc2)N(Cc3cnccc3)CCN(C)C)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C28H40N4S/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22/h9-11,14-16,18-21H,12-13,17H2,1-8H3 |
InChIKey | InChI | 1.03 | VVBFISAUNSXQGZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1cc(C(C)C)c(c2csc(n2)N(CCN(C)C)Cc3cccnc3)c(c1)C(C)C |
SMILES | CACTVS | 3.385 | CC(C)c1cc(C(C)C)c(c2csc(n2)N(CCN(C)C)Cc3cccnc3)c(c1)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(c(c1)C(C)C)c2csc(n2)N(CCN(C)C)Cc3cccnc3)C(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)c1cc(c(c(c1)C(C)C)c2csc(n2)N(CCN(C)C)Cc3cccnc3)C(C)C |