VCL
Summary
| Name: | 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate |
| Synonyms: | Clobenpropit |
| Formula: | C14 H17 Cl N4 S |
| Formal charge: | 0 |
| Formula weight: | 308.83 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(1~{H}-imidazol-4-yl)propyl ~{N}'-[(4-chlorophenyl)methyl]carbamimidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19) |
| InChIKey | InChI | 1.06 | UCAIEVHKDLMIFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(SCCCc1c[nH]cn1)=NCc2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.385 | NC(SCCCc1c[nH]cn1)=NCc2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C/N=C(/N)\SCCCc2c[nH]cn2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CN=C(N)SCCCc2c[nH]cn2)Cl |
