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

Systemtic Name: (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methyl-piperidine-1-carbothioamide Openeye Name: (2R)-2-[5-(3-cyanophenyl)isoxazol-3-yl]-N-methyl-piperidine-1-carbothioamide CAS Name: (2R)-2-[5-(3-cyanophenyl)-3-isoxazolyl]-N-methyl-1-piperidinecarbothioamide IUPAC Name: (2R)-2-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-N-methylpiperidine-1-carbothioamide Traditional Name: (2R)-2-[5-(3-cyanophenyl)isoxazol-3-yl]-N-methyl-piperidine-1-carbothioamide Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCCC1C2=NOC(=C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-19-17(23)21-8-3-2-7-15(21)14-10-16(22-20-14)13-6-4-5-12(9-13)11-18/h4-6,9-10,15H,2-3,7-8H2,1H3,(H,19,23)/t15-/m1/s1