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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)C(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CO)C(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

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