ethyl 4-[[2-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[2-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[2-(hydroxymethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[(2-methylolpiperidine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCCC2CO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCCC2CO

InChI

InChI=1S/C16H22N2O3S/c1-2-21-15(20)12-6-8-13(9-7-12)17-16(22)18-10-4-3-5-14(18)11-19/h6-9,14,19H,2-5,10-11H2,1H3,(H,17,22)