BFG
Summary
| Name: | 3,3-diphenyl-N-(2-sulfanylethyl)propanamide |
| Formula: | C17 H19 N O S |
| Formal charge: | 0 |
| Formula weight: | 285.404 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,3-diphenyl-N-(2-sulfanylethyl)propanamide |
| OpenEye OEToolkits | 1.7.0 | 3,3-diphenyl-N-(2-sulfanylethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCS)CC(c1ccccc1)c2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | SCCNC(=O)CC(c1ccccc1)c2ccccc2 |
| SMILES | CACTVS | 3.370 | SCCNC(=O)CC(c1ccccc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(CC(=O)NCCS)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(CC(=O)NCCS)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C17H19NOS/c19-17(18-11-12-20)13-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2,(H,18,19) |
| InChIKey | InChI | 1.03 | OBWWQAVWKRLIJP-UHFFFAOYSA-N |
