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

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-(p-tolylcarbamothioyl)amino]methyl]benzoate CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[p-tolylthiocarbamoyl(veratryl)amino]methyl]benzoate Formula: C25H25N2O4S- MolecularWeight: 449.542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=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/C25H26N2O4S/c1-17-4-11-21(12-5-17)26-25(32)27(15-18-6-9-20(10-7-18)24(28)29)16-19-8-13-22(30-2)23(14-19)31-3/h4-14H,15-16H2,1-3H3,(H,26,32)(H,28,29)/p-1