4-[[(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]benzoate

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]benzoate CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-fluoroanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[(2-fluorophenyl)thiocarbamoyl-veratryl-amino]methyl]benzoate Formula: C24H22FN2O4S- MolecularWeight: 453.505883

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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=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)[O-])C(=S)NC3=CC=CC=C3F)OC

InChI

InChI=1S/C24H23FN2O4S/c1-30-21-12-9-17(13-22(21)31-2)15-27(14-16-7-10-18(11-8-16)23(28)29)24(32)26-20-6-4-3-5-19(20)25/h3-13H,14-15H2,1-2H3,(H,26,32)(H,28,29)/p-1