2W7
Summary
| Name: | N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide |
| Formula: | C19 H24 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 344.471 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{2-oxo-2-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]ethyl}-2-sulfanylbenzamide |
| OpenEye OEToolkits | 1.7.6 | N-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-2-sulfanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccccc1S)NCC(=O)NC24CC3CC(CC(C2)C3)C4 |
| InChI | InChI | 1.03 | InChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)/t12-,13+,14-,19- |
| InChIKey | InChI | 1.03 | XDQOSIXIPHKGDJ-KRFSREQESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Sc1ccccc1C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3 |
| SMILES | CACTVS | 3.370 | Sc1ccccc1C(=O)NCC(=O)NC23CC4CC(CC(C4)C2)C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)NCC(=O)NC23CC4CC(C2)CC(C4)C3)S |
