dimethyl 5-(2-naphthalen-1-ylethanoylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-naphthalen-1-ylethanoylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-naphthyl)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C23H20N2O5S/c1-29-21(27)16-10-17(22(28)30-2)12-18(11-16)24-23(31)25-20(26)13-15-8-5-7-14-6-3-4-9-19(14)15/h3-12H,13H2,1-2H3,(H2,24,25,26,31)