dimethyl 5-(pyridin-3-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(pyridin-3-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(3-pyridylmethylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(pyridin-3-ylmethylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(3-pyridylmethylthiocarbamoylamino)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CN=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CN=CC=C2)C(=O)OC

InChI

InChI=1S/C17H17N3O4S/c1-23-15(21)12-6-13(16(22)24-2)8-14(7-12)20-17(25)19-10-11-4-3-5-18-9-11/h3-9H,10H2,1-2H3,(H2,19,20,25)