(3R,5R)-N-(2-chloranyl-5-nitro-phenyl)-3,5-dimethyl-piperidine-1-carbothioamide

Systemtic Name: (3R,5R)-N-(2-chloranyl-5-nitro-phenyl)-3,5-dimethyl-piperidine-1-carbothioamide Openeye Name: (3R,5R)-N-(2-chloro-5-nitro-phenyl)-3,5-dimethyl-piperidine-1-carbothioamide CAS Name: (3R,5R)-N-(2-chloro-5-nitrophenyl)-3,5-dimethyl-1-piperidinecarbothioamide IUPAC Name: (3R,5R)-N-(2-chloro-5-nitrophenyl)-3,5-dimethylpiperidine-1-carbothioamide Traditional Name: (3R,5R)-N-(2-chloro-5-nitro-phenyl)-3,5-dimethyl-piperidine-1-carbothioamide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C14H18ClN3O2S/c1-9-5-10(2)8-17(7-9)14(21)16-13-6-11(18(19)20)3-4-12(13)15/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,21)/t9-,10-/m1/s1