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

Systemtic Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)-N-propan-2-yl-azepane-1-carbothioamide Openeye Name: (2S,5S)-N-isopropyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2S,5S)-5-methyl-2-(1-methyl-2-pyrrolyl)-N-propan-2-yl-1-azepanecarbothioamide IUPAC Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)-N-propan-2-ylazepane-1-carbothioamide Traditional Name: (2S,5S)-N-isopropyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C16H27N3S MolecularWeight: 293.47068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3S/c1-12(2)17-16(20)19-11-9-13(3)7-8-15(19)14-6-5-10-18(14)4/h5-6,10,12-13,15H,7-9,11H2,1-4H3,(H,17,20)/t13-,15-/m0/s1