ethyl 3-[(2,5-dimethoxyphenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]propanoate

Systemtic Name: ethyl 3-[(2,5-dimethoxyphenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]propanoate Openeye Name: ethyl 3-[(2,5-dimethoxyphenyl)methyl-(p-tolylcarbamothioyl)amino]propanoate CAS Name: 3-[(2,5-dimethoxyphenyl)methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2,5-dimethoxyphenyl)methyl-[(4-methylphenyl)carbamothioyl]amino]propanoate Traditional Name: 3-[(2,5-dimethoxybenzyl)-(p-tolylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=C(C=CC(=C1)OC)OC)C(=S)NC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCN(CC1=C(C=CC(=C1)OC)OC)C(=S)NC2=CC=C(C=C2)C

InChI

InChI=1S/C22H28N2O4S/c1-5-28-21(25)12-13-24(22(29)23-18-8-6-16(2)7-9-18)15-17-14-19(26-3)10-11-20(17)27-4/h6-11,14H,5,12-13,15H2,1-4H3,(H,23,29)