9-(2-chlorophenyl)-3-methyl-n-(1-phenylpropan-2-yl)-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 (CHEM343830)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 11:47:43 UTC | ||||||||
| Update Date | 2026-08-31 11:47:43 UTC | ||||||||
| Accession Number | CHEM343830 | ||||||||
| Identification | |||||||||
| Common Name | 9-(2-chlorophenyl)-3-methyl-n-(1-phenylpropan-2-yl)-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-(1-phenylpropan-2-yl)-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 C28H27ClN6S2. With an average molecular weight of 547.10 g/mol, 9-(2-chlorophenyl)-3-methyl-n-(1-phenylpropan-2-yl)-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 heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H27ClN6S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 546.143 g/mol | ||||||||
| CAS Registry Number | 132418-48-5 | ||||||||
| IUPAC Name | 9-(2-chlorophenyl)-3-methyl-n-(1-phenylpropan-2-yl)-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)NC(C)CC5=CC=CC=C5)C(=NC2)C6=CC=CC=C6Cl | ||||||||
| InChI Identifier | InChI=1S/C28H27ClN6S2/c1-17(14-19-8-4-3-5-9-19)31-28(36)34-13-12-21-23(16-34)37-27-25(21)26(20-10-6-7-11-22(20)29)30-15-24-33-32-18(2)35(24)27/h3-11,17H,12-16H2,1-2H3,(H,31,36) | ||||||||
| InChI Key | XUSVTYFNOSCRGV-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 |
| ||||||||
| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
| ||||||||
| 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 | ||||||||
