methyl 3-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(4-benzyloxybenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-phenylmethoxybenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(4-benzoxybenzoyl)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)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

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