Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1SC(C(=NN1)c2cc4c(cc2)N(C(=O)c3ccc(OC)c(OC)c3)CCC4)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1OC)C(=O)N2CCCc3cc(ccc23)C4=NNC(=O)S[C@@H]4C |
SMILES | CACTVS | 3.341 | COc1ccc(cc1OC)C(=O)N2CCCc3cc(ccc23)C4=NNC(=O)S[CH]4C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(=NNC(=O)S1)c2ccc3c(c2)CCCN3C(=O)c4ccc(c(c4)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)/t13-/m1/s1 |
InChIKey | InChI | 1.03 | IZLRMTJLQCLMKF-CYBMUJFWSA-N |