ethyl 4-[[3-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-(2-ethoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[3-(2-ethoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-(2-ethoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H24N2O5S/c1-3-26-12-13-28-18-7-5-6-16(14-18)19(24)23-21(29)22-17-10-8-15(9-11-17)20(25)27-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,24,29)