4JG
Summary
| Name: | 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone |
| Synonyms: | 1-(4-methyl-2-(naphthalen-2-ylamino)thiazol-5-yl)ethanone |
| Formula: | C16 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 282.36 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone |
| OpenEye OEToolkits | 1.7.6 | 1-[4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazol-5-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(nc1C)Nc2ccc3c(c2)cccc3)C |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2OS/c1-10-15(11(2)19)20-16(17-10)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18) |
| InChIKey | InChI | 1.03 | CELUMPGHYUOWHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C |
| SMILES | CACTVS | 3.370 | CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)Nc2ccc3ccccc3c2)C(=O)C |
