RFT
Summary
| Name: | butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate |
| Formula: | C15 H24 N2 O3 S3 |
| Formal charge: | 0 |
| Formula weight: | 376.558 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethyl]-2-butylsulfanylcarbothioylsulfanyl-2-methyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20) |
| InChIKey | InChI | 1.03 | RVSHKKVKYZTEOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O |
| SMILES | CACTVS | 3.385 | CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O |
