![Methyl 2-({[(4-methylbenzoyl)amino]carbothioyl}amino)benzoate](/api/spectrum/8xNFQkihVd0/structure.png?h=300&w=458 "Methyl 2-({[(4-methylbenzoyl)amino]carbothioyl}amino)benzoate")
| SpectraBase Compound ID | 1qF2hAcUeRs |
|---|---|
| InChI | InChI=1S/C17H16N2O3S/c1-11-7-9-12(10-8-11)15(20)19-17(23)18-14-6-4-3-5-13(14)16(21)22-2/h3-10H,1-2H3,(H2,18,19,20,23) |
| InChIKey | KOBCAIVFDHVLSD-UHFFFAOYSA-N |
| Mol Weight | 328.39 g/mol |
| Molecular Formula | C17H16N2O3S |
| Exact Mass | 328.088164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8xNFQkihVd0 |
|---|---|
| Name | Methyl 2-({[(4-methylbenzoyl)amino]carbothioyl}amino)benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.088163554 u |
| Formula | C17H16N2O3S |
| InChI | InChI=1S/C17H16N2O3S/c1-11-7-9-12(10-8-11)15(20)19-17(23)18-14-6-4-3-5-13(14)16(21)22-2/h3-10H,1-2H3,(H2,18,19,20,23) |
| InChIKey | KOBCAIVFDHVLSD-UHFFFAOYSA-N |
| SMILES | N(C=1C(C(=O)OC)=CC=CC1)C(NC(C=1C=CC(=CC1)C)=O)=S |