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

Systemtic Name: methyl 3-[[3-(2-phenoxyethanoylamino)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[3-[(1-oxo-2-phenoxyethyl)amino]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(2-phenoxyacetyl)amino]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[3-[(2-phenoxyacetyl)amino]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C24H21N3O5S/c1-31-23(30)17-8-5-7-16(13-17)22(29)27-24(33)26-19-10-6-9-18(14-19)25-21(28)15-32-20-11-3-2-4-12-20/h2-14H,15H2,1H3,(H,25,28)(H2,26,27,29,33)