ZQM
Summary
| Name: | N-{2-[(propan-2-yl)sulfanyl]phenyl}urea |
| Formula: | C10 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 210.296 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{2-[(propan-2-yl)sulfanyl]phenyl}urea |
| OpenEye OEToolkits | 2.0.7 | 1-(2-propan-2-ylsulfanylphenyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)Sc1ccccc1NC(N)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2OS/c1-7(2)14-9-6-4-3-5-8(9)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13) |
| InChIKey | InChI | 1.03 | JMNHFNZOQMCQHZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Sc1ccccc1NC(N)=O |
| SMILES | CACTVS | 3.385 | CC(C)Sc1ccccc1NC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Sc1ccccc1NC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Sc1ccccc1NC(=O)N |
