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

Systemtic Name: (2S,5S)-N-cyclopropyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2S,5S)-N-cyclopropyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2S,5S)-N-cyclopropyl-5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2S,5S)-N-cyclopropyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2S,5S)-N-cyclopropyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C16H25N3S MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N(CC1)C(=S)NC2CC2)C3=CC=CN3C

Isomeric SMILES

C[C@H]1CC[C@H](N(CC1)C(=S)NC2CC2)C3=CC=CN3C

InChI

InChI=1S/C16H25N3S/c1-12-5-8-15(14-4-3-10-18(14)2)19(11-9-12)16(20)17-13-6-7-13/h3-4,10,12-13,15H,5-9,11H2,1-2H3,(H,17,20)/t12-,15-/m0/s1