methyl 4-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoate

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

Isomeric SMILES

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

InChI

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