A1AYJ
Summary
| Name: | N-cycloheptyl-N'-(2-hydroxyethyl)thiourea |
| Formula: | C10 H20 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 216.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-cycloheptyl-N'-(2-hydroxyethyl)thiourea |
| OpenEye OEToolkits | 2.0.7 | 1-cycloheptyl-3-(2-hydroxyethyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCCNC(=S)NC1CCCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C10H20N2OS/c13-8-7-11-10(14)12-9-5-3-1-2-4-6-9/h9,13H,1-8H2,(H2,11,12,14) |
| InChIKey | InChI | 1.06 | XZVAQQCCBIIANR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNC(=S)NC1CCCCCC1 |
| SMILES | CACTVS | 3.385 | OCCNC(=S)NC1CCCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCCC(CC1)NC(=S)NCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCCC(CC1)NC(=S)NCCO |
