(3S)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-(hydroxymethyl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-(hydroxymethyl)piperidine-1-carbothioamide Openeye Name: (3S)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-(hydroxymethyl)piperidine-1-carbothioamide CAS Name: (3S)-N-[2-[(4-chlorophenyl)thio]ethyl]-3-(hydroxymethyl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-(hydroxymethyl)piperidine-1-carbothioamide Traditional Name: (3S)-N-[2-[(4-chlorophenyl)thio]ethyl]-3-methylol-piperidine-1-carbothioamide Formula: C15H21ClN2OS2 MolecularWeight: 344.92304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NCCSC2=CC=C(C=C2)Cl)CO

Isomeric SMILES

C1C[C@@H](CN(C1)C(=S)NCCSC2=CC=C(C=C2)Cl)CO

InChI

InChI=1S/C15H21ClN2OS2/c16-13-3-5-14(6-4-13)21-9-7-17-15(20)18-8-1-2-12(10-18)11-19/h3-6,12,19H,1-2,7-11H2,(H,17,20)/t12-/m0/s1