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

Systemtic Name: (2S,5S)-N-(2-methoxyethyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2S,5S)-N-(2-methoxyethyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2S,5S)-N-(2-methoxyethyl)-5-methyl-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2S,5S)-N-(2-methoxyethyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2S,5S)-N-(2-methoxyethyl)-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C16H27N3OS MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3OS/c1-13-6-7-15(14-5-4-10-18(14)2)19(11-8-13)16(21)17-9-12-20-3/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,17,21)/t13-,15-/m0/s1