A1ENR
Summary
| Name: | 2-[(4-bromophenyl)methylsulfanyl]-~{N}-[4-[(2~{S})-butan-2-yl]phenyl]ethanamide |
| Formula: | C19 H22 Br N O S |
| Formal charge: | 0 |
| Formula weight: | 392.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(4-bromophenyl)methylsulfanyl]-~{N}-[4-[(2~{S})-butan-2-yl]phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H22BrNOS/c1-3-14(2)16-6-10-18(11-7-16)21-19(22)13-23-12-15-4-8-17(20)9-5-15/h4-11,14H,3,12-13H2,1-2H3,(H,21,22)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | QKUYZJOTWYRWNF-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 |
| SMILES | CACTVS | 3.385 | CC[CH](C)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C)c1ccc(cc1)NC(=O)CSCc2ccc(cc2)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)c1ccc(cc1)NC(=O)CSCc2ccc(cc2)Br |
