methyl 3-[[2-(2-phenylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(2-phenylphenoxy)ethanoylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[[1-oxo-2-(2-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(2-phenylphenoxy)acetyl]amino]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)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3

InChI

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