9-(2-chlorophenyl)-3-methyl-n-prop-2-enyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide (CHEM326703)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 11:29:22 UTC | ||||||||
| Update Date | 2026-08-30 11:29:22 UTC | ||||||||
| Accession Number | CHEM326703 | ||||||||
| Identification | |||||||||
| Common Name | 9-(2-chlorophenyl)-3-methyl-n-prop-2-enyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | 9-(2-chlorophenyl)-3-methyl-n-prop-2-enyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide is a chemical compound with the formula C22H21ClN6S2. It has an average molecular weight of 469.00 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C22H21ClN6S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 468.096 g/mol | ||||||||
| CAS Registry Number | 132418-57-6 | ||||||||
| IUPAC Name | 9-(2-chlorophenyl)-3-methyl-n-prop-2-enyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbothioamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NN=C2N1C3=C(C4=C(S3)CN(CC4)C(=S)NCC=C)C(=NC2)C5=CC=CC=C5Cl | ||||||||
| InChI Identifier | InChI=1S/C22H21ClN6S2/c1-3-9-24-22(30)28-10-8-15-17(12-28)31-21-19(15)20(14-6-4-5-7-16(14)23)25-11-18-27-26-13(2)29(18)21/h3-7H,1,8-12H2,2H3,(H,24,30) | ||||||||
| InChI Key | DDVKLDJIMVATLW-UHFFFAOYSA-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 | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
