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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCC(CCC1C2=CC=CN2C)C

Isomeric SMILES

CCCNC(=S)N1CC[C@H](CC[C@@H]1C2=CC=CN2C)C

InChI

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