(2R)-2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-N-methyl-piperidine-1-carbothioamide

Systemtic Name: (2R)-2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-N-methyl-piperidine-1-carbothioamide Openeye Name: (2R)-2-[5-(3-chlorophenyl)isoxazol-3-yl]-N-methyl-piperidine-1-carbothioamide CAS Name: (2R)-2-[5-(3-chlorophenyl)-3-isoxazolyl]-N-methyl-1-piperidinecarbothioamide IUPAC Name: (2R)-2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-N-methylpiperidine-1-carbothioamide Traditional Name: (2R)-2-[5-(3-chlorophenyl)isoxazol-3-yl]-N-methyl-piperidine-1-carbothioamide Formula: C16H18ClN3OS MolecularWeight: 335.85162

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCCC1C2=NOC(=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CNC(=S)N1CCCC[C@@H]1C2=NOC(=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H18ClN3OS/c1-18-16(22)20-8-3-2-7-14(20)13-10-15(21-19-13)11-5-4-6-12(17)9-11/h4-6,9-10,14H,2-3,7-8H2,1H3,(H,18,22)/t14-/m1/s1