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

Systemtic Name: methyl 4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[2-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(2-phenoxyethoxy)phenyl]thiocarbamoylcarbamoyl]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)C(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

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