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

Systemtic Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)-N-prop-2-enyl-azepane-1-carbothioamide Openeye Name: (2S,5S)-N-allyl-5-methyl-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2S,5S)-5-methyl-2-(1-methyl-2-pyrrolyl)-N-prop-2-enyl-1-azepanecarbothioamide IUPAC Name: (2S,5S)-5-methyl-2-(1-methylpyrrol-2-yl)-N-prop-2-enylazepane-1-carbothioamide Traditional Name: (2S,5S)-N-allyl-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)NCC=C)C2=CC=CN2C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3S/c1-4-10-17-16(20)19-12-9-13(2)7-8-15(19)14-6-5-11-18(14)3/h4-6,11,13,15H,1,7-10,12H2,2-3H3,(H,17,20)/t13-,15-/m0/s1