[4-[(e)-n-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-c-methylcarbonimidoyl]phenyl] acetate (CHEM322166)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 04:26:33 UTC | ||||||||
| Update Date | 2026-08-30 04:26:33 UTC | ||||||||
| Accession Number | CHEM322166 | ||||||||
| Identification | |||||||||
| Common Name | [4-[(e)-n-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-c-methylcarbonimidoyl]phenyl] acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | [4-[(e)-n-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-c-methylcarbonimidoyl]phenyl] acetate is a chemical compound with the formula C21H20N4O3S3. It has an average molecular weight of 472.60 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H20N4O3S3 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 472.070 g/mol | ||||||||
| CAS Registry Number | 315201-47-9 | ||||||||
| IUPAC Name | [4-[(e)-n-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-c-methylcarbonimidoyl]phenyl] acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=NNC(=O)CSC1=NN=C(S1)SCC2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C | ||||||||
| InChI Identifier | InChI=1S/C21H20N4O3S3/c1-14(17-8-10-18(11-9-17)28-15(2)26)22-23-19(27)13-30-21-25-24-20(31-21)29-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,23,27)/b22-14+ | ||||||||
| InChI Key | HJLVBPRRLAADHE-HYARGMPZSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
