Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1c(OC)c(C)cnc1CSc1nc2cc3NCCc3cc2[NH]1 |
InChI | InChI | 1.03 | InChI=1S/C18H20N4OS/c1-10-8-20-16(11(2)17(10)23-3)9-24-18-21-14-6-12-4-5-19-13(12)7-15(14)22-18/h6-8,19H,4-5,9H2,1-3H3,(H,21,22) |
InChIKey | InChI | 1.03 | WJZVXHZGDYMISX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1c(C)cnc(CSc2[nH]c3cc4CCNc4cc3n2)c1C |
SMILES | CACTVS | 3.385 | COc1c(C)cnc(CSc2[nH]c3cc4CCNc4cc3n2)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c(c1OC)C)CSc2[nH]c3cc4c(cc3n2)NCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cnc(c(c1OC)C)CSc2[nH]c3cc4c(cc3n2)NCC4 |