methyl 2-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate CAS Name: 2-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 2-[[3-(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=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

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