dimethyl 5-[(3-methylpyridin-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(3-methylpyridin-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-methyl-2-pyridyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-methylpyridin-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-methyl-2-pyridyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(N=CC=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H17N3O4S/c1-10-5-4-6-18-14(10)20-17(25)19-13-8-11(15(21)23-2)7-12(9-13)16(22)24-3/h4-9H,1-3H3,(H2,18,19,20,25)