4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]benzoic acid CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethylphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(2-ethylphenyl)thiocarbamoyl-veratryl-amino]methyl]benzoic acid Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC(=C(C=C3)OC)OC

InChI

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