dimethyl 5-[(4-phenylphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-phenylphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-phenylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-phenylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-phenylbenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H20N2O5S MolecularWeight: 448.491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O5S/c1-30-22(28)18-12-19(23(29)31-2)14-20(13-18)25-24(32)26-21(27)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3,(H2,25,26,27,32)