dimethyl 5-[2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-methylpiperidine-1-carbothioyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H24N2O5S2 MolecularWeight: 424.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H24N2O5S2/c1-12-4-6-21(7-5-12)19(27)28-11-16(22)20-15-9-13(17(23)25-2)8-14(10-15)18(24)26-3/h8-10,12H,4-7,11H2,1-3H3,(H,20,22)