ZVK
Summary
| Name: | ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate |
| Formula: | C12 H18 N2 S |
| Formal charge: | 0 |
| Formula weight: | 222.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate |
| OpenEye OEToolkits | 2.0.7 | ethyl ~{N}'-(4-ethylphenyl)-~{N}-methyl-carbamimidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(/SCC)=N/c1ccc(cc1)CC |
| InChI | InChI | 1.06 | InChI=1S/C12H18N2S/c1-4-10-6-8-11(9-7-10)14-12(13-3)15-5-2/h6-9H,4-5H2,1-3H3,(H,13,14) |
| InChIKey | InChI | 1.06 | ZUMALHSBJIUQMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCSC(NC)=Nc1ccc(CC)cc1 |
| SMILES | CACTVS | 3.385 | CCSC(NC)=Nc1ccc(CC)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccc(cc1)/N=C(/NC)\SCC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccc(cc1)N=C(NC)SCC |
