ethyl 4-[[(4-ethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(4-ethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(4-ethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[(4-ethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-ethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[(4-ethoxybenzyl)-p-anisyl-thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C27H30N2O4S MolecularWeight: 478.6031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

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