(2R)-N-(2-methylprop-2-enyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2R)-N-(2-methylprop-2-enyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2R)-N-(2-methylallyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2R)-N-(2-methylprop-2-enyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2R)-N-(2-methylprop-2-enyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2R)-N-(2-methylallyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C16H25N3S MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCCCCC1C2=CC=CN2C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3S/c1-13(2)12-17-16(20)19-11-6-4-5-8-15(19)14-9-7-10-18(14)3/h7,9-10,15H,1,4-6,8,11-12H2,2-3H3,(H,17,20)/t15-/m1/s1