Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3 |
InChI | InChI | 1.03 | InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | PDIUERQHFJXFMT-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | SC[C@H](NC(=O)Cc1ccc2OCOc2c1)C(=O)NCc3ccncc3 |
SMILES | CACTVS | 3.385 | SC[CH](NC(=O)Cc1ccc2OCOc2c1)C(=O)NCc3ccncc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CC(=O)NC(CS)C(=O)NCc3ccncc3)OCO2 |