S0A
Summary
| Name: | 1-[(1R)-1-cyclopropylethyl]-3-phenylurea |
| Formula: | C12 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 204.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(1R)-1-cyclopropylethyl]-3-phenylurea |
| OpenEye OEToolkits | 1.7.6 | 1-[(1R)-1-cyclopropylethyl]-3-phenyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1)NC(C)C2CC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O/c1-9(10-7-8-10)13-12(15)14-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,13,14,15)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | VBBOGUVAPQGDSX-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)Nc1ccccc1)C2CC2 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)Nc1ccccc1)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](C1CC1)NC(=O)Nc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C1CC1)NC(=O)Nc2ccccc2 |
