dimethyl 5-[(4-oxidanylpiperidin-1-yl)carbothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-oxidanylpiperidin-1-yl)carbothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-hydroxypiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-hydroxypiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-hydroxypiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCC(CC2)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCC(CC2)O)C(=O)OC

InChI

InChI=1S/C16H20N2O5S/c1-22-14(20)10-7-11(15(21)23-2)9-12(8-10)17-16(24)18-5-3-13(19)4-6-18/h7-9,13,19H,3-6H2,1-2H3,(H,17,24)