T4Z
Summary
| Name: | 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide |
| Formula: | C11 H14 Cl N O S2 |
| Formal charge: | 0 |
| Formula weight: | 275.818 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H14ClNOS2/c12-9-2-4-10(5-3-9)16-8-11(14)13-6-1-7-15/h2-5,15H,1,6-8H2,(H,13,14) |
| InChIKey | InChI | 1.03 | WUPWUIRPSWIHOS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCCCNC(=O)CSc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | SCCCNC(=O)CSc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1SCC(=O)NCCCS)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1SCC(=O)NCCCS)Cl |
