A1IUG
Summary
| Name: | 1-[azanyl-oxidanylidene-[2-(2-oxidanylpropan-2-yl)-1,3-thiazol-5-yl]-$l^{6}-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea |
| Synonyms: | DFV890 |
| Formula: | C19 H24 N4 O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 420.549 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[azanyl-oxidanylidene-[2-(2-oxidanylpropan-2-yl)-1,3-thiazol-5-yl]-$l^{6}-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H24N4O3S2/c1-19(2,25)17-21-10-15(27-17)28(20,26)23-18(24)22-16-13-7-3-5-11(13)9-12-6-4-8-14(12)16/h9-10,25H,3-8H2,1-2H3,(H3,20,22,23,24,26)/t28-/m1/s1 |
| InChIKey | InChI | 1.06 | LHVWNNYPUDZLSH-MUUNZHRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)c1sc(cn1)[S@](N)(=O)=NC(=O)Nc2c3CCCc3cc4CCCc24 |
| SMILES | CACTVS | 3.385 | CC(C)(O)c1sc(cn1)[S](N)(=O)=NC(=O)Nc2c3CCCc3cc4CCCc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(c1ncc(s1)[S@@](=NC(=O)Nc2c3c(cc4c2CCC4)CCC3)(=O)N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(c1ncc(s1)S(=NC(=O)Nc2c3c(cc4c2CCC4)CCC3)(=O)N)O |
