4RW
Summary
| Name: | (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine |
| Formula: | C8 H14 N2 S |
| Formal charge: | 0 |
| Formula weight: | 170.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine |
| OpenEye OEToolkits | 1.9.2 | (4aS,8aR)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C12CSC(N)=NC1CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2S/c9-8-10-7-4-2-1-3-6(7)5-11-8/h6-7H,1-5H2,(H2,9,10)/t6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | SZAFVQHJBWFBIQ-RNFRBKRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=N[C@@H]2CCCC[C@@H]2CS1 |
| SMILES | CACTVS | 3.385 | NC1=N[CH]2CCCC[CH]2CS1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C1CC[C@@H]2[C@H](C1)CSC(=N2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C1CCC2C(C1)CSC(=N2)N |
