G00
Summary
| Name: | 4-butoxy-3-chlorobenzyl imidothiocarbamate |
| Formula: | C12 H17 Cl N2 O S |
| Formal charge: | 0 |
| Formula weight: | 272.794 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (4-butoxy-3-chloro-phenyl)methyl carbamimidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCCCOc1ccc(CSC(N)=N)cc1Cl |
| SMILES | CACTVS | 3.352 | CCCCOc1ccc(CSC(N)=N)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/N)\SCc1ccc(c(c1)Cl)OCCCC |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCCOc1ccc(cc1Cl)CSC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H17ClN2OS/c1-2-3-6-16-11-5-4-9(7-10(11)13)8-17-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15) |
| InChIKey | InChI | 1.03 | IONZMLSFEITLRK-UHFFFAOYSA-N |
