(2S,5R)-N-(4-bromanyl-2-methyl-phenyl)-5-ethyl-2-methyl-piperidine-1-carbothioamide

Systemtic Name: (2S,5R)-N-(4-bromanyl-2-methyl-phenyl)-5-ethyl-2-methyl-piperidine-1-carbothioamide Openeye Name: (2S,5R)-N-(4-bromo-2-methyl-phenyl)-5-ethyl-2-methyl-piperidine-1-carbothioamide CAS Name: (2S,5R)-N-(4-bromo-2-methylphenyl)-5-ethyl-2-methyl-1-piperidinecarbothioamide IUPAC Name: (2S,5R)-N-(4-bromo-2-methylphenyl)-5-ethyl-2-methylpiperidine-1-carbothioamide Traditional Name: (2S,5R)-N-(4-bromo-2-methyl-phenyl)-5-ethyl-2-methyl-piperidine-1-carbothioamide Formula: C16H23BrN2S MolecularWeight: 355.33622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N(C1)C(=S)NC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

CC[C@@H]1CC[C@@H](N(C1)C(=S)NC2=C(C=C(C=C2)Br)C)C

InChI

InChI=1S/C16H23BrN2S/c1-4-13-6-5-12(3)19(10-13)16(20)18-15-8-7-14(17)9-11(15)2/h7-9,12-13H,4-6,10H2,1-3H3,(H,18,20)/t12-,13+/m0/s1