![1-[4-Methylthio-2-(4-methylbenzenesulfonamido)-butanoyl]-4-(4-chlorophenyl)thiosemicarbazide](/api/spectrum/2ZBMD5NfDeZ/structure.png?h=300&w=458 "1-[4-Methylthio-2-(4-methylbenzenesulfonamido)-butanoyl]-4-(4-chlorophenyl)thiosemicarbazide")
| SpectraBase Compound ID | Lo20ueABMWm |
|---|---|
| InChI | InChI=1S/C19H23ClN4O3S3/c1-13-3-9-16(10-4-13)30(26,27)24-17(11-12-29-2)18(25)22-23-19(28)21-15-7-5-14(20)6-8-15/h3-10,17,24H,11-12H2,1-2H3,(H,22,25)(H2,21,23,28) |
| InChIKey | AQIBBZYGDZYBAE-UHFFFAOYSA-N |
| Mol Weight | 487.05 g/mol |
| Molecular Formula | C19H23ClN4O3S3 |
| Exact Mass | 486.062082 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ZBMD5NfDeZ |
|---|---|
| Name | 1-[4-Methylthio-2-(4-methylbenzenesulfonamido)-butanoyl]-4-(4-chlorophenyl)thiosemicarbazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 486.062081836 u |
| Formula | C19H23ClN4O3S3 |
| InChI | InChI=1S/C19H23ClN4O3S3/c1-13-3-9-16(10-4-13)30(26,27)24-17(11-12-29-2)18(25)22-23-19(28)21-15-7-5-14(20)6-8-15/h3-10,17,24H,11-12H2,1-2H3,(H,22,25)(H2,21,23,28) |
| InChIKey | AQIBBZYGDZYBAE-UHFFFAOYSA-N |
| Molecular Weight | 487.051 g/mol |
| SMILES | C(NNC(C(CCSC)NS(=O)(=O)C=1C=CC(=CC1)C)=O)(=S)NC=1C=CC(=CC1)Cl |