dimethyl 5-(pyridin-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(pyridin-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-pyridylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(pyridin-2-ylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(2-pyridylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H15N3O4S MolecularWeight: 345.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=N2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=N2)C(=O)OC

InChI

InChI=1S/C16H15N3O4S/c1-22-14(20)10-7-11(15(21)23-2)9-12(8-10)18-16(24)19-13-5-3-4-6-17-13/h3-9H,1-2H3,(H2,17,18,19,24)