4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethyl-6-methyl-phenyl)carbamothioyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethyl-6-methyl-phenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethyl-6-methyl-phenyl)carbamothioyl]amino]methyl]benzoic acid CAS Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(3,4-dimethoxyphenyl)methyl-[(2-ethyl-6-methylphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(2-ethyl-6-methyl-phenyl)thiocarbamoyl-veratryl-amino]methyl]benzoic acid Formula: C27H30N2O4S MolecularWeight: 478.6031

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S/c1-5-21-8-6-7-18(2)25(21)28-27(34)29(16-19-9-12-22(13-10-19)26(30)31)17-20-11-14-23(32-3)24(15-20)33-4/h6-15H,5,16-17H2,1-4H3,(H,28,34)(H,30,31)