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

Systemtic Name: methyl 3-[[3-(2-phenoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-(2-phenoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(2-phenoxyethoxy)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[3-(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=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

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