9Z8
Summary
| Name: | 6-(2-Mercaptoacetylamino)-N-phenylhexanamide |
| Formula: | C14 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 280.386 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-phenyl-6-[(sulfanylacetyl)amino]hexanamide |
| OpenEye OEToolkits | 1.7.6 | N-phenyl-6-(2-sulfanylethanoylamino)hexanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ccccc1)CCCCCNC(=O)CS |
| InChI | InChI | 1.03 | InChI=1S/C14H20N2O2S/c17-13(16-12-7-3-1-4-8-12)9-5-2-6-10-15-14(18)11-19/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,18)(H,16,17) |
| InChIKey | InChI | 1.03 | ICMLRCZXRBTKLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCC(=O)NCCCCCC(=O)Nc1ccccc1 |
| SMILES | CACTVS | 3.385 | SCC(=O)NCCCCCC(=O)Nc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)NC(=O)CCCCCNC(=O)CS |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)NC(=O)CCCCCNC(=O)CS |
