4BT
Summary
| Name: | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA |
| Synonyms: | S,S'-(1,4-PHENYLENE-BIS(1,2-ETHANEDIYL))BIS-ISOTHIOUREA |
| Formula: | C12 H18 N4 S2 |
| Formal charge: | 0 |
| Formula weight: | 282.428 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | benzene-1,4-diyldiethane-2,1-diyl bis(imidothiocarbamate) |
| OpenEye OEToolkits | 1.5.0 | 2-[4-(2-carbamimidoylsulfanylethyl)phenyl]ethylsulfanylmethanimidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S(C(=[N@H])N)CCc1ccc(cc1)CCSC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)SCCc1ccc(CCSC(N)=N)cc1 |
| SMILES | CACTVS | 3.341 | NC(=N)SCCc1ccc(CCSC(N)=N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\SCCc1ccc(cc1)CCSC(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)SCCc1ccc(cc1)CCSC(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16) |
| InChIKey | InChI | 1.03 | FZWGDUUJDZCYJR-UHFFFAOYSA-N |
