U1D
Summary
| Name: | N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide |
| Formula: | C11 H14 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 238.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide |
| OpenEye OEToolkits | 2.0.7 | ~{N}'-ethanoyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(NC(C)=O)C(c2cc1CCCCc1s2)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15) |
| InChIKey | InChI | 1.03 | DNSKRZJUSJXMPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NNC(=O)c1sc2CCCCc2c1 |
| SMILES | CACTVS | 3.385 | CC(=O)NNC(=O)c1sc2CCCCc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NNC(=O)c1cc2c(s1)CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NNC(=O)c1cc2c(s1)CCCC2 |
