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

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]benzoate CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-ethylanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(4-ethylphenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[(4-ethylphenyl)thiocarbamoyl-veratryl-amino]methyl]benzoate Formula: C26H27N2O4S- MolecularWeight: 463.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=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/C26H28N2O4S/c1-4-18-7-12-22(13-8-18)27-26(33)28(16-19-5-10-21(11-6-19)25(29)30)17-20-9-14-23(31-2)24(15-20)32-3/h5-15H,4,16-17H2,1-3H3,(H,27,33)(H,29,30)/p-1