VX4
Summary
| Name: | [(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone |
| Formula: | C11 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 224.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone |
| OpenEye OEToolkits | 2.0.7 | [(4~{S})-4-methylazepan-1-yl]-(1,3-thiazol-4-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N2(C(c1cscn1)=O)CCC(C)CCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2OS/c1-9-3-2-5-13(6-4-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | ORSJIQSXTAJDMZ-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CCCN(CC1)C(=O)c2cscn2 |
| SMILES | CACTVS | 3.385 | C[CH]1CCCN(CC1)C(=O)c2cscn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCCN(CC1)C(=O)c2cscn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN(CC1)C(=O)c2cscn2 |
