UZF
Summary
| Name: | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone |
| Formula: | C16 H15 N O S |
| Formal charge: | 0 |
| Formula weight: | 269.361 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15NOS/c18-16(11-19)17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-8,19H,9-11H2 |
| InChIKey | InChI | 1.06 | LSKXZDXJGRPCMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | SCC(=O)N1c2ccccc2CCc3ccccc13 |
| SMILES | CACTVS | 3.385 | SCC(=O)N1c2ccccc2CCc3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCc3ccccc3N2C(=O)CS |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)CCc3ccccc3N2C(=O)CS |
