A1EU9
Summary
| Name: | ~{N}-[2-[[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide |
| Formula: | C16 H15 N3 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 361.439 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[[2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophen-3-yl]amino]-2-oxidanylidene-ethyl]furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H15N3O3S2/c1-9-8-23-16(18-9)13-6-11(10(2)24-13)19-14(20)7-17-15(21)12-4-3-5-22-12/h3-6,8H,7H2,1-2H3,(H,17,21)(H,19,20) |
| InChIKey | InChI | 1.06 | TZKYPEPWBXNTPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc(cc1NC(=O)CNC(=O)c2occc2)c3scc(C)n3 |
| SMILES | CACTVS | 3.385 | Cc1sc(cc1NC(=O)CNC(=O)c2occc2)c3scc(C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1csc(n1)c2cc(c(s2)C)NC(=O)CNC(=O)c3ccco3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1csc(n1)c2cc(c(s2)C)NC(=O)CNC(=O)c3ccco3 |
