VZP
Summary
| Name: | N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea |
| Formula: | C9 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 234.316 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-1-methyl-3-propan-2-yl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | RMWFRPZNASSVCZ-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)N(C)[C@@H]1CC[S](=O)(=O)C1 |
| SMILES | CACTVS | 3.385 | CC(C)NC(=O)N(C)[CH]1CC[S](=O)(=O)C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)N(C)C1CCS(=O)(=O)C1 |
