![1-[3-(1H-Imidazol-4-yl)-2-(4-methylphenylsulfonamido)propanoyl]-4-(4-chlorophenyl)thiosemicarbazide](/api/spectrum/9hU53lQCH4d/structure.png?h=300&w=458 "1-[3-(1H-Imidazol-4-yl)-2-(4-methylphenylsulfonamido)propanoyl]-4-(4-chlorophenyl)thiosemicarbazide")
| SpectraBase Compound ID | 6b509cy1fAI |
|---|---|
| InChI | InChI=1S/C20H21ClN6O3S2/c1-13-2-8-17(9-3-13)32(29,30)27-18(10-16-11-22-12-23-16)19(28)25-26-20(31)24-15-6-4-14(21)5-7-15/h2-9,11-12,18,27H,10H2,1H3,(H,22,23)(H,25,28)(H2,24,26,31) |
| InChIKey | CSCNWHGYASUZJH-UHFFFAOYSA-N |
| Mol Weight | 493.0 g/mol |
| Molecular Formula | C20H21ClN6O3S2 |
| Exact Mass | 492.080509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9hU53lQCH4d |
|---|---|
| Name | 1-[3-(1H-Imidazol-4-yl)-2-(4-methylphenylsulfonamido)propanoyl]-4-(4-chlorophenyl)thiosemicarbazide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H21ClN6O3S2 |
| InChI | InChI=1S/C20H21ClN6O3S2/c1-13-2-8-17(9-3-13)32(29,30)27-18(10-16-11-22-12-23-16)19(28)25-26-20(31)24-15-6-4-14(21)5-7-15/h2-9,11-12,18,27H,10H2,1H3,(H,22,23)(H,25,28)(H2,24,26,31) |
| InChIKey | CSCNWHGYASUZJH-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/hc.20282 |
| Molecular Weight | 493.000 g/mol |
| SMILES | N(NC(=S)Nc1ccc(cc1)Cl)C(C(Cc1nc[nH]c1)NS(=O)(=O)c1ccc(cc1)C)=O |
| SPLASH | splash10-004i-9400000000-c8fc0f7fcf6678b6f710 |
| Source of Spectrum | HAC-18-319-2h |
| Synonyms | N-(4-chlorophenyl)-2-(tosylhistidyl)hydrazine-1-carbothioamide |
| Wiley ID | 1783759 |