HCW
Summary
| Name: | 1,3-BIS{4-[(1E)-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ETHANEHYDRAZONOYL]PHENYL}UREA |
| Formula: | C23 H28 N10 O |
| Formal charge: | 0 |
| Formula weight: | 460.535 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-bis{4-[(1E)-N-(4,5-dihydro-1H-imidazol-2-yl)ethanehydrazonoyl]phenyl}urea |
| OpenEye OEToolkits | 1.7.0 | 1,3-bis[4-[(E)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methyl-carbonimidoyl]phenyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc2ccc(\C(=N\NC1=NCCN1)C)cc2)Nc4ccc(/C(=N/NC3=NCCN3)C)cc4 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=N\NC1=NCCN1)/c2ccc(NC(=O)Nc3ccc(cc3)\C(C)=N\NC4=NCCN4)cc2 |
| SMILES | CACTVS | 3.370 | CC(=NNC1=NCCN1)c2ccc(NC(=O)Nc3ccc(cc3)C(C)=NNC4=NCCN4)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C/C(=N\NC1=NCCN1)/c2ccc(cc2)NC(=O)Nc3ccc(cc3)/C(=N/NC4=NCCN4)/C |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=NNC1=NCCN1)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=NNC4=NCCN4)C |
| InChI | InChI | 1.03 | InChI=1S/C23H28N10O/c1-15(30-32-21-24-11-12-25-21)17-3-7-19(8-4-17)28-23(34)29-20-9-5-18(6-10-20)16(2)31-33-22-26-13-14-27-22/h3-10H,11-14H2,1-2H3,(H2,24,25,32)(H2,26,27,33)(H2,28,29,34)/b30-15+,31-16+ |
| InChIKey | InChI | 1.03 | IGZOGYCMSGAQFP-KUGLDEIXSA-N |
