methyl 2-[4-[[3-(hydroxymethyl)piperidin-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[3-(hydroxymethyl)piperidin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]phenyl]acetate CAS Name: 2-[4-[[[3-(hydroxymethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]phenyl]acetate Traditional Name: 2-[4-[(3-methylolpiperidine-1-carbothioyl)amino]phenyl]acetic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCCC(C2)CO

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCCC(C2)CO

InChI

InChI=1S/C16H22N2O3S/c1-21-15(20)9-12-4-6-14(7-5-12)17-16(22)18-8-2-3-13(10-18)11-19/h4-7,13,19H,2-3,8-11H2,1H3,(H,17,22)