A1CUM
Summary
| Name: | N-(2-methylphenyl)morpholine-4-carbothioamide |
| Formula: | C12 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 236.333 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2-methylphenyl)morpholine-4-carbothioamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-(2-methylphenyl)morpholine-4-carbothioamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C(Nc1ccccc1C)N1CCOCC1 |
| InChI | InChI | 1.06 | InChI=1S/C12H16N2OS/c1-10-4-2-3-5-11(10)13-12(16)14-6-8-15-9-7-14/h2-5H,6-9H2,1H3,(H,13,16) |
| InChIKey | InChI | 1.06 | GYUXEKCEGBXHAJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1NC(=S)N2CCOCC2 |
| SMILES | CACTVS | 3.385 | Cc1ccccc1NC(=S)N2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1NC(=S)N2CCOCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1NC(=S)N2CCOCC2 |
