ZAT
Summary
| Name: | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) |
| Formula: | C19 H24 N10 O |
| Formal charge: | 0 |
| Formula weight: | 408.46 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-2-(1-{4-[({4-[(1E)-N-carbamimidoylethanehydrazonoyl]phenyl}carbamoyl)amino]phenyl}ethylidene)hydrazinecarboximidamide (non-preferred name) |
| OpenEye OEToolkits | 1.5.0 | 1,3-bis[4-(N-carbamimidamido-C-methyl-carbonimidoyl)phenyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccc(cc1)\C(=N\NC(=[N@H])N)C)Nc2ccc(\C(=N\NC(=[N@H])N)C)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | C\C(=N/NC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)\C(C)=N\NC(N)=N)cc1 |
| SMILES | CACTVS | 3.341 | CC(=NNC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=NNC(N)=N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NN=C(C)c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(=NNC(=N[H])N)C |
| InChI | InChI | 1.03 | InChI=1S/C19H24N10O/c1-11(26-28-17(20)21)13-3-7-15(8-4-13)24-19(30)25-16-9-5-14(6-10-16)12(2)27-29-18(22)23/h3-10H,1-2H3,(H4,20,21,28)(H4,22,23,29)(H2,24,25,30)/b26-11+,27-12+ |
| InChIKey | InChI | 1.03 | HCAQGQIHBFVVIX-LYXAAFRTSA-N |
