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

Systemtic Name: (2S,5S)-5-methyl-N-(2-methylprop-2-enyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Openeye Name: (2S,5S)-5-methyl-N-(2-methylallyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide CAS Name: (2S,5S)-5-methyl-N-(2-methylprop-2-enyl)-2-(1-methyl-2-pyrrolyl)-1-azepanecarbothioamide IUPAC Name: (2S,5S)-5-methyl-N-(2-methylprop-2-enyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Traditional Name: (2S,5S)-5-methyl-N-(2-methylallyl)-2-(1-methylpyrrol-2-yl)azepane-1-carbothioamide Formula: C17H27N3S MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3S/c1-13(2)12-18-17(21)20-11-9-14(3)7-8-16(20)15-6-5-10-19(15)4/h5-6,10,14,16H,1,7-9,11-12H2,2-4H3,(H,18,21)/t14-,16-/m0/s1