dimethyl 5-[(2,2-diphenylethanoylamino)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2,2-diphenylethanoylamino)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(2,2-diphenylacetyl)amino]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(2,2-diphenylacetyl)amino]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(2,2-diphenylacetyl)amino]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5S/c1-32-23(30)18-13-19(24(31)33-2)15-20(14-18)26-25(34)28-27-22(29)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3,(H,27,29)(H2,26,28,34)