3-(hydroxymethyl)-N-(4-methylphenyl)piperidine-1-carbothioamide

Systemtic Name: 3-(hydroxymethyl)-N-(4-methylphenyl)piperidine-1-carbothioamide Openeye Name: 3-(hydroxymethyl)-N-(p-tolyl)piperidine-1-carbothioamide CAS Name: 3-(hydroxymethyl)-N-(4-methylphenyl)-1-piperidinecarbothioamide IUPAC Name: 3-(hydroxymethyl)-N-(4-methylphenyl)piperidine-1-carbothioamide Traditional Name: 3-methylol-N-(p-tolyl)piperidine-1-carbothioamide Formula: C14H20N2OS MolecularWeight: 264.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2OS/c1-11-4-6-13(7-5-11)15-14(18)16-8-2-3-12(9-16)10-17/h4-7,12,17H,2-3,8-10H2,1H3,(H,15,18)