methyl 4-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-benzyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-benzoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O4S/c1-28-22(27)18-7-11-19(12-8-18)24-23(30)25-21(26)17-9-13-20(14-10-17)29-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H2,24,25,26,30)