A1CVE
Summary
| Name: | N-cyclohexyl-N'-(2-hydroxyethyl)thiourea |
| Formula: | C9 H18 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 202.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-cyclohexyl-N'-(2-hydroxyethyl)thiourea |
| OpenEye OEToolkits | 3.1.0.0 | 1-cyclohexyl-3-(2-hydroxyethyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C(NC1CCCCC1)NCCO |
| InChI | InChI | 1.06 | InChI=1S/C9H18N2OS/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13) |
| InChIKey | InChI | 1.06 | OSSNZOUVMDUFJA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNC(=S)NC1CCCCC1 |
| SMILES | CACTVS | 3.385 | OCCNC(=S)NC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CCC(CC1)NC(=S)NCCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CCC(CC1)NC(=S)NCCO |
