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

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]benzoic acid CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-methoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-methoxyphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(2-methoxyphenyl)thiocarbamoyl-veratryl-amino]methyl]benzoic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C(=S)NC3=CC=CC=C3OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)C(=S)NC3=CC=CC=C3OC)OC

InChI

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