dimethyl 5-[2-(1-adamantyl)ethanoylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-adamantyl)ethanoylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-adamantyl)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-adamantyl)acetyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C23H28N2O5S/c1-29-20(27)16-6-17(21(28)30-2)8-18(7-16)24-22(31)25-19(26)12-23-9-13-3-14(10-23)5-15(4-13)11-23/h6-8,13-15H,3-5,9-12H2,1-2H3,(H2,24,25,26,31)