JTT
Summary
| Name: | 2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide |
| 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 | 2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 2,4-dimethyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(nc1C)C)Nc3cc2ccccc2cc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2OS/c1-10-15(20-11(2)17-10)16(19)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.03 | CXTLAWSTWSPWGT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1sc(C(=O)Nc2ccc3ccccc3c2)c(C)n1 |
| SMILES | CACTVS | 3.370 | Cc1sc(C(=O)Nc2ccc3ccccc3c2)c(C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(sc(n1)C)C(=O)Nc2ccc3ccccc3c2 |
