![3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid structure](/static/products/4336/433698-32-9.webp)
3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid
3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid
Also Known As: Oprea1_004619|3-[[[ AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOICACID|3-[3-(4-ethoxy-3-nitro-benzoyl)-thioureido]-4-methyl-benzoic acid|3-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-4-methyl-benzoic Acid|3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid|3-({[(4-ethoxy-3-nitrobenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid|3-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid|3-[[[(4-ETHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-4-METHYL-BENZOIC ACID
| Molecular Formula | C18H17N3O6S |
|---|---|
| Molecular Weight | 403.0838 g/mol |
| LogP | 3.12692 |
| Topological Polar Surface Area | 130.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0838 |
| Monoisotopic Mass | 403.0838 |
| Heavy Atoms | 28 |
| Complexity | 960.3323 |
Chemical Identifiers
| CAS Number | 433698-32-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)C)[N+](=O)[O-] |
Product Overview
3-({[(4-Ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)-4-methylbenzoic acid (CAS 433698-32-9), with molecular formula C18H17N3O6S and molecular weight 403.0838 g/mol. IUPAC: 3-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-4-methylbenzoic acid.