(3S)-N-(2-chloranyl-5-nitro-phenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide

Systemtic Name: (3S)-N-(2-chloranyl-5-nitro-phenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide Openeye Name: (3S)-N-(2-chloro-5-nitro-phenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide CAS Name: (3S)-N-(2-chloro-5-nitrophenyl)-3-(hydroxymethyl)-1-piperidinecarbothioamide IUPAC Name: (3S)-N-(2-chloro-5-nitrophenyl)-3-(hydroxymethyl)piperidine-1-carbothioamide Traditional Name: (3S)-N-(2-chloro-5-nitro-phenyl)-3-methylol-piperidine-1-carbothioamide Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O3S/c14-11-4-3-10(17(19)20)6-12(11)15-13(21)16-5-1-2-9(7-16)8-18/h3-4,6,9,18H,1-2,5,7-8H2,(H,15,21)/t9-/m0/s1