A1ABS
Summary
| Name: | N-(3,4-dihydroquinoline-1(2H)-carbothioyl)propanamide |
| Formula: | C13 H16 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 248.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3,4-dihydroquinoline-1(2H)-carbothioyl)propanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3,4-dihydro-2~{H}-quinolin-1-ylcarbothioyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(=O)NC(=S)N1CCCc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2OS/c1-2-12(16)14-13(17)15-9-5-7-10-6-3-4-8-11(10)15/h3-4,6,8H,2,5,7,9H2,1H3,(H,14,16,17) |
| InChIKey | InChI | 1.06 | JIWDKCWXODYTFV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)NC(=S)N1CCCc2ccccc12 |
| SMILES | CACTVS | 3.385 | CCC(=O)NC(=S)N1CCCc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)NC(=S)N1CCCc2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)NC(=S)N1CCCc2c1cccc2 |
