XEW
Summary
| Name: | N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide |
| Formula: | C11 H16 Cl N5 |
| Formal charge: | 0 |
| Formula weight: | 253.731 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-chlorophenyl)-N'-(propan-2-yl)triimidodicarbonic diamide |
| OpenEye OEToolkits | 2.0.7 | 1-(4-chlorophenyl)-3-(~{N}-propan-2-ylcarbamimidoyl)guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(NC(=N)NC(=N)NC(C)C)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17) |
| InChIKey | InChI | 1.06 | SSOLNOMRVKKSON-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\Nc1ccc(cc1)Cl)/N/C(=N\[H])/NC(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=N)NC(=N)Nc1ccc(cc1)Cl |
