4-[[(3,4-dimethoxyphenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoate

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoate Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoate CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(3,5-dimethylphenyl)carbamothioyl]amino]methyl]benzoate Traditional Name: 4-[[(3,5-dimethylphenyl)thiocarbamoyl-veratryl-amino]methyl]benzoate Formula: C26H27N2O4S- MolecularWeight: 463.56858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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