propyl 4-[[2-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[[2-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(2-ethoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-ethoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCOCC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCOCC

InChI

InChI=1S/C22H26N2O5S/c1-3-13-29-21(26)16-9-11-17(12-10-16)23-22(30)24-20(25)18-7-5-6-8-19(18)28-15-14-27-4-2/h5-12H,3-4,13-15H2,1-2H3,(H2,23,24,25,30)