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

Systemtic Name: ethyl 4-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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