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

Systemtic Name: dimethyl 2-[2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(4-methylpiperidine-1-carbothioyl)thio]acetyl]amino]benzene-1,4-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=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5S2/c1-12-6-8-21(9-7-12)19(27)28-11-16(22)20-15-10-13(17(23)25-2)4-5-14(15)18(24)26-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,22)