A1MDA
Summary
| Name: | (3~{S})-~{N}-(2-oxidanylidene-3~{H}-1,3-benzothiazol-7-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide |
| Formula: | C20 H22 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 382.479 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-~{N}-(2-oxidanylidene-3~{H}-1,3-benzothiazol-7-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H22N4O2S/c25-19(22-16-7-3-8-17-18(16)27-20(26)23-17)14-5-4-11-24(13-14)12-9-15-6-1-2-10-21-15/h1-3,6-8,10,14H,4-5,9,11-13H2,(H,22,25)(H,23,26)/t14-/m0/s1 |
| InChIKey | InChI | 1.06 | SMTOBJROPLIKDA-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2cccc(NC(=O)[C@H]3CCCN(CCc4ccccn4)C3)c2S1 |
| SMILES | CACTVS | 3.385 | O=C1Nc2cccc(NC(=O)[CH]3CCCN(CCc4ccccn4)C3)c2S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CCN2CCC[C@@H](C2)C(=O)Nc3cccc4c3SC(=O)N4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)CCN2CCCC(C2)C(=O)Nc3cccc4c3SC(=O)N4 |
