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

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-(m-tolylcarbamothioyl)amino]methyl]benzoic acid CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(3-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[m-tolylthiocarbamoyl(veratryl)amino]methyl]benzoic acid Formula: C25H26N2O4S MolecularWeight: 450.54994

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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

Isomeric SMILES

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

InChI

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