A1CUR
Summary
| Name: | N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide |
| Formula: | C14 H15 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 261.339 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(NCCSCc1ccco1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H15NO2S/c16-14(12-5-2-1-3-6-12)15-8-10-18-11-13-7-4-9-17-13/h1-7,9H,8,10-11H2,(H,15,16) |
| InChIKey | InChI | 1.06 | QLVJAPWKBRXUOG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCSCc1occc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C(NCCSCc1occc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C(=O)NCCSCc2ccco2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)C(=O)NCCSCc2ccco2 |
