ethyl 4-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O5S/c1-2-30-24(29)19-8-12-20(13-9-19)26-25(33)27-23(28)18-10-14-22(15-11-18)32-17-16-31-21-6-4-3-5-7-21/h3-15H,2,16-17H2,1H3,(H2,26,27,28,33)