methyl 2-[[2-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[2-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[2-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[2-(hydroxymethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[(2-methylolpiperidine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCCCC2CO

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCCCC2CO

InChI

InChI=1S/C15H20N2O3S/c1-20-14(19)12-7-2-3-8-13(12)16-15(21)17-9-5-4-6-11(17)10-18/h2-3,7-8,11,18H,4-6,9-10H2,1H3,(H,16,21)