dimethyl 2-[[3-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[3-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[3-(hydroxymethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-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)N2CCCC(C2)CO

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCC(C2)CO

InChI

InChI=1S/C17H22N2O5S/c1-23-15(21)12-5-6-13(16(22)24-2)14(8-12)18-17(25)19-7-3-4-11(9-19)10-20/h5-6,8,11,20H,3-4,7,9-10H2,1-2H3,(H,18,25)