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

Systemtic Name: (3R)-N-(4-nitrophenyl)-3-oxidanyl-piperidine-1-carbothioamide Openeye Name: (3R)-3-hydroxy-N-(4-nitrophenyl)piperidine-1-carbothioamide CAS Name: (3R)-3-hydroxy-N-(4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: (3R)-3-hydroxy-N-(4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: (3R)-3-hydroxy-N-(4-nitrophenyl)piperidine-1-carbothioamide Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c16-11-2-1-7-14(8-11)12(19)13-9-3-5-10(6-4-9)15(17)18/h3-6,11,16H,1-2,7-8H2,(H,13,19)/t11-/m1/s1