EN3
Summary
| Name: | (E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione |
| Formula: | C32 H34 N6 O4 S |
| Formal charge: | 0 |
| Formula weight: | 598.715 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C32H34N6O4S/c39-29-21-23-9-7-12-26(19-23)41-17-5-1-2-6-18-42-27-13-8-10-24(20-27)22-30(40)34-32-38-37-31(43-32)14-4-3-11-25-15-16-28(33-29)36-35-25/h1-2,7-10,12-13,15-16,19-20H,3-6,11,14,17-18,21-22H2,(H,33,36,39)(H,34,38,40)/b2-1+ |
| InChIKey | InChI | 1.03 | IFQQSJCIINHYQE-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Cc2cccc(OCC/C=C/CCOc3cccc(CC(=O)Nc4ccc(CCCCc5sc(N1)nn5)nn4)c3)c2 |
| SMILES | CACTVS | 3.385 | O=C1Cc2cccc(OCCC=CCCOc3cccc(CC(=O)Nc4ccc(CCCCc5sc(N1)nn5)nn4)c3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cc(c1)OCC/C=C/CCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cc(c1)OCCC=CCCOc3cccc(c3)CC(=O)Nc4nnc(s4)CCCCc5ccc(nn5)NC(=O)C2 |
