dimethyl 5-[bis(phenylmethyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[bis(phenylmethyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(dibenzylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(dibenzylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(dibenzylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H24N2O4S/c1-30-23(28)20-13-21(24(29)31-2)15-22(14-20)26-25(32)27(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3,(H,26,32)