ethyl 4-morpholin-4-yl-3-(2-phenoxyethanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-morpholin-4-yl-3-(2-phenoxyethanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-morpholino-3-[(2-phenoxyacetyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-morpholin-4-yl-3-[(2-phenoxyacetyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(2-phenoxyacetyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5S/c1-2-29-21(27)16-8-9-19(25-10-12-28-13-11-25)18(14-16)23-22(31)24-20(26)15-30-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H2,23,24,26,31)