(2S,5S)-N,5-dimethyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide

Systemtic Name: (2S,5S)-N,5-dimethyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2S,5S)-N,5-dimethyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2S,5S)-N,5-dimethyl-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2S,5S)-N,5-dimethyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2S,5S)-N,5-dimethyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C14H23N3S MolecularWeight: 265.41752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(CC1)C(=S)NC)C2=CC=CN2C

Isomeric SMILES

C[C@H]1CC[C@H](N(CC1)C(=S)NC)C2=CC=CN2C

InChI

InChI=1S/C14H23N3S/c1-11-6-7-13(12-5-4-9-16(12)3)17(10-8-11)14(18)15-2/h4-5,9,11,13H,6-8,10H2,1-3H3,(H,15,18)/t11-,13-/m0/s1