(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carbothioamide Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carbothioamide CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carbothioamide Traditional Name: (3S)-N-homoveratryl-3-methylol-piperidine-1-carbothioamide Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCC(C2)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC[C@@H](C2)CO)OC

InChI

InChI=1S/C17H26N2O3S/c1-21-15-6-5-13(10-16(15)22-2)7-8-18-17(23)19-9-3-4-14(11-19)12-20/h5-6,10,14,20H,3-4,7-9,11-12H2,1-2H3,(H,18,23)/t14-/m0/s1