4-[[(3,4-dimethoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]carbamothioyl]amino]methyl]benzoate

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]carbamothioyl]amino]methyl]benzoate CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]methyl]benzoate IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[[3-(trifluoromethyl)phenyl]carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[[3-(trifluoromethyl)phenyl]thiocarbamoyl-veratryl-amino]methyl]benzoate Formula: C25H22F3N2O4S- MolecularWeight: 503.51339

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)[O-])C(=S)NC3=CC=CC(=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)[O-])C(=S)NC3=CC=CC(=C3)C(F)(F)F)OC

InChI

InChI=1S/C25H23F3N2O4S/c1-33-21-11-8-17(12-22(21)34-2)15-30(14-16-6-9-18(10-7-16)23(31)32)24(35)29-20-5-3-4-19(13-20)25(26,27)28/h3-13H,14-15H2,1-2H3,(H,29,35)(H,31,32)/p-1