(2R)-N-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2R)-N-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-N-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C13H21N3S MolecularWeight: 251.39094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCCCC1C2=CC=CN2C

Isomeric SMILES

CNC(=S)N1CCCCC[C@@H]1C2=CC=CN2C

InChI

InChI=1S/C13H21N3S/c1-14-13(17)16-10-5-3-4-7-12(16)11-8-6-9-15(11)2/h6,8-9,12H,3-5,7,10H2,1-2H3,(H,14,17)/t12-/m1/s1