Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3 |
InChIKey | InChI | 1.06 | FEVXGFVVUGZYTO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 |
SMILES | CACTVS | 3.385 | CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C)C(=O)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C)C(=O)C |