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

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-methoxyphenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-methoxyphenyl)carbamothioyl]amino]methyl]benzoate CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-methoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-methoxyphenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[(4-methoxyphenyl)thiocarbamoyl-veratryl-amino]methyl]benzoate Formula: C25H25N2O5S- MolecularWeight: 465.5414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H26N2O5S/c1-30-21-11-9-20(10-12-21)26-25(33)27(15-17-4-7-19(8-5-17)24(28)29)16-18-6-13-22(31-2)23(14-18)32-3/h4-14H,15-16H2,1-3H3,(H,26,33)(H,28,29)/p-1