dimethyl 2-[[2-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[2-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[2-(hydroxymethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(2-methylolpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCCC2CO

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCCC2CO

InChI

InChI=1S/C17H22N2O5S/c1-23-15(21)11-6-7-13(16(22)24-2)14(9-11)18-17(25)19-8-4-3-5-12(19)10-20/h6-7,9,12,20H,3-5,8,10H2,1-2H3,(H,18,25)