dimethyl 5-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-phenylmethoxyphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-benzyloxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-phenylmethoxybenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-benzoxybenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O6S/c1-31-23(29)18-11-19(24(30)32-2)13-20(12-18)26-25(34)27-22(28)17-9-6-10-21(14-17)33-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H2,26,27,28,34)