ethyl 4-[[3-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-(hydroxymethyl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[3-(hydroxymethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[(3-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)N2CCCC(C2)CO

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-2-21-15(20)13-5-7-14(8-6-13)17-16(22)18-9-3-4-12(10-18)11-19/h5-8,12,19H,2-4,9-11H2,1H3,(H,17,22)