A1BOS
Summary
| Name: | (3S)-1-[(1-benzothiophen-4-yl)acetyl]piperidine-3-carboxamide |
| Formula: | C16 H18 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 302.391 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(1-benzothiophen-4-yl)acetyl]piperidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[2-(1-benzothiophen-4-yl)ethanoyl]piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CCCN(C1)C(=O)Cc1cccc2sccc12 |
| InChI | InChI | 1.06 | InChI=1S/C16H18N2O2S/c17-16(20)12-4-2-7-18(10-12)15(19)9-11-3-1-5-14-13(11)6-8-21-14/h1,3,5-6,8,12H,2,4,7,9-10H2,(H2,17,20)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | HCUJWCCUGKJCFJ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc3sccc23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3sccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2ccsc2c1)CC(=O)N3CCC[C@@H](C3)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c2ccsc2c1)CC(=O)N3CCCC(C3)C(=O)N |
