4DI
Summary
| Name: | 4-(DIMETHYLAMINO)BUTYL IMIDOTHIOCARBAMATE |
| Synonyms: | SKF-91488 4-(-DIMETHYLAMINO)BUTYL ESTER 4(-N,N-DIMETHYLAMINO)BUTYLISOTHIOUREA |
| Formula: | C7 H17 N3 S |
| Formal charge: | 0 |
| Formula weight: | 175.295 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(dimethylamino)butyl imidothiocarbamate |
| OpenEye OEToolkits | 1.5.0 | 4-dimethylaminobutylsulfanylmethanimidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [N@H]=C(SCCCCN(C)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)CCCCSC(N)=N |
| SMILES | CACTVS | 3.341 | CN(C)CCCCSC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/SCCCCN(C)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)SCCCCN(C)C |
| InChI | InChI | 1.03 | InChI=1S/C7H17N3S/c1-10(2)5-3-4-6-11-7(8)9/h3-6H2,1-2H3,(H3,8,9) |
| InChIKey | InChI | 1.03 | UFYJLJINUGVUHO-UHFFFAOYSA-N |
