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

Systemtic Name: methyl 4-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-[2-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O5S/c1-29-23(28)17-11-13-18(14-12-17)25-24(32)26-22(27)20-9-5-6-10-21(20)31-16-15-30-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H2,25,26,27,32)