ZBH
Summary
| Name: | (4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide |
| Formula: | C10 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 210.296 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-~{N},2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(=O)C1CCCc2sc(C)nc21 |
| InChI | InChI | 1.06 | InChI=1S/C10H14N2OS/c1-6-12-9-7(10(13)11-2)4-3-5-8(9)14-6/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | VHNBWPBVIQVVTE-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@H]1CCCc2sc(C)nc12 |
| SMILES | CACTVS | 3.385 | CNC(=O)[CH]1CCCc2sc(C)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(s1)CCC[C@@H]2C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1nc2c(s1)CCCC2C(=O)NC |
