UTG
Summary
| Name: | N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea |
| Formula: | C12 H11 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 266.747 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea |
| OpenEye OEToolkits | 2.0.7 | 1-(2-chlorophenyl)-3-(furan-2-ylmethyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc(c1NC(NCc2ccco2)=S)Cl |
| InChI | InChI | 1.03 | InChI=1S/C12H11ClN2OS/c13-10-5-1-2-6-11(10)15-12(17)14-8-9-4-3-7-16-9/h1-7H,8H2,(H2,14,15,17) |
| InChIKey | InChI | 1.03 | QDQNQQPXAIJIJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccccc1NC(=S)NCc2occc2 |
| SMILES | CACTVS | 3.385 | Clc1ccccc1NC(=S)NCc2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)NC(=S)NCc2ccco2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)NC(=S)NCc2ccco2)Cl |
