50R
Summary
| Name: | 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide |
| Formula: | C15 H11 I N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 410.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 4-(4-iodanylphenoxy)-N-methyl-thieno[2,3-c]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(C(NC)=O)sc2cncc(c2c1)Oc3ccc(cc3)I |
| InChI | InChI | 1.03 | InChI=1S/C15H11IN2O2S/c1-17-15(19)13-6-11-12(7-18-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,17,19) |
| InChIKey | InChI | 1.03 | QHMOZKVAGIEXJR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1sc2cncc(Oc3ccc(I)cc3)c2c1 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1sc2cncc(Oc3ccc(I)cc3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I |
| SMILES | OpenEye OEToolkits | 1.9.2 | CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I |
