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

Systemtic Name: (2R)-N-butyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-butyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-butyl-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-butyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-N-butyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C16H27N3S MolecularWeight: 293.47068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCCCCC1C2=CC=CN2C

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3S/c1-3-4-11-17-16(20)19-13-7-5-6-9-15(19)14-10-8-12-18(14)2/h8,10,12,15H,3-7,9,11,13H2,1-2H3,(H,17,20)/t15-/m1/s1