4-methoxy-3-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methoxy-3-[(4-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3-[(4-benzyloxybenzoyl)carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[[[[oxo-(4-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[(4-phenylmethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3-[(4-benzoxybenzoyl)thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O5S/c1-29-20-12-9-17(22(27)28)13-19(20)24-23(31)25-21(26)16-7-10-18(11-8-16)30-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,27,28)(H2,24,25,26,31)