ZSS
Summary
| Name: | (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate |
| Formula: | C9 H11 Cl N2 S |
| Formal charge: | 0 |
| Formula weight: | 214.715 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate |
| OpenEye OEToolkits | 2.0.7 | [(1~{R})-1-(4-chlorophenyl)ethyl] carbamimidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)C(C)SC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C9H11ClN2S/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | LMPMLIXDHLWEBJ-ZCFIWIBFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](SC(N)=N)c1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | C[CH](SC(N)=N)c1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N)\S[C@H](C)c1ccc(cc1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(cc1)Cl)SC(=N)N |
