(3R)-3-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carbothioamide

Systemtic Name: (3R)-3-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carbothioamide Openeye Name: (3R)-3-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carbothioamide CAS Name: (3R)-3-(hydroxymethyl)-N-(4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: (3R)-3-(hydroxymethyl)-N-(4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: (3R)-3-methylol-N-(4-nitrophenyl)piperidine-1-carbothioamide Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

C1C[C@H](CN(C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C13H17N3O3S/c17-9-10-2-1-7-15(8-10)13(20)14-11-3-5-12(6-4-11)16(18)19/h3-6,10,17H,1-2,7-9H2,(H,14,20)/t10-/m1/s1