3-(hydroxymethyl)-N-(2-nitrophenyl)piperidine-1-carbothioamide

Systemtic Name: 3-(hydroxymethyl)-N-(2-nitrophenyl)piperidine-1-carbothioamide Openeye Name: 3-(hydroxymethyl)-N-(2-nitrophenyl)piperidine-1-carbothioamide CAS Name: 3-(hydroxymethyl)-N-(2-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 3-(hydroxymethyl)-N-(2-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 3-methylol-N-(2-nitrophenyl)piperidine-1-carbothioamide Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c17-9-10-4-3-7-15(8-10)13(20)14-11-5-1-2-6-12(11)16(18)19/h1-2,5-6,10,17H,3-4,7-9H2,(H,14,20)