A1CVJ
Summary
| Name: | (4S)-4-methyl-N-(propan-2-yl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxamide |
| Formula: | C12 H18 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 238.349 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (4S)-4-methyl-N-(propan-2-yl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (4~{S})-4-methyl-~{N}-propan-2-yl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)NC(=O)N1CCc2sccc2C1C |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2OS/c1-8(2)13-12(15)14-6-4-11-10(9(14)3)5-7-16-11/h5,7-9H,4,6H2,1-3H3,(H,13,15)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | XPOMGKHWPJNPLH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)N1CCc2sccc2[C@@H]1C |
| SMILES | CACTVS | 3.385 | CC(C)NC(=O)N1CCc2sccc2[CH]1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1c2ccsc2CCN1C(=O)NC(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1c2ccsc2CCN1C(=O)NC(C)C |
